3,5-diethyl-4-methyl-4-(trifluoromethyl)heptane;3,5-diethyl-3,4,5-trimethyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-2,3-dimethyl-3-(trifluoromethyl)hexane;(3S)-4-ethyl-2,3,4-trimethyl-3-(trifluoromethyl)hexane;1-methyl-1-(trifluoromethyl)cyclopentane;2,4,6-trimethyl-3,5-di(propan-2-yl)-4-(trifluoromethyl)heptane;(3S)-2,3,5-trimethyl-4-propan-2-yl-3-(trifluoromethyl)hexane

C88H167F21 — CID 164969219

About 3,5-diethyl-4-methyl-4-(trifluoromethyl)heptane;3,5-diethyl-3,4,5-trimethyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-2,3-dimethyl-3-(trifluoromethyl)hexane;(3S)-4-ethyl-2,3,4-trimethyl-3-(trifluoromethyl)hexane;1-methyl-1-(trifluoromethyl)cyclopentane;2,4,6-trimethyl-3,5-di(propan-2-yl)-4-(trifluoromethyl)heptane;(3S)-2,3,5-trimethyl-4-propan-2-yl-3-(trifluoromethyl)hexane

3,5-diethyl-4-methyl-4-(trifluoromethyl)heptane;3,5-diethyl-3,4,5-trimethyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-2,3-dimethyl-3-(trifluoromethyl)hexane;(3S)-4-ethyl-2,3,4-trimethyl-3-(trifluoromethyl)hexane;1-methyl-1-(trifluoromethyl)cyclopentane;2,4,6-trimethyl-3,5-di(propan-2-yl)-4-(trifluoromethyl)heptane;(3S)-2,3,5-trimethyl-4-propan-2-yl-3-(trifluoromethyl)hexane (PubChem CID 164969219) has the molecular formula C88H167F21 and a molecular weight of 1624.26 g/mol. Its IUPAC name is 3,5-diethyl-4-methyl-4-(trifluoromethyl)heptane;3,5-diethyl-3,4,5-trimethyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-2,3-dimethyl-3-(trifluoromethyl)hexane;(3S)-4-ethyl-2,3,4-trimethyl-3-(trifluoromethyl)hexane;1-methyl-1-(trifluoromethyl)cyclopentane;2,4,6-trimethyl-3,5-di(propan-2-yl)-4-(trifluoromethyl)heptane;(3S)-2,3,5-trimethyl-4-propan-2-yl-3-(trifluoromethyl)hexane.

Molecular Properties

• Compound Name: 3,5-diethyl-4-methyl-4-(trifluoromethyl)heptane;3,5-diethyl-3,4,5-trimethyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-2,3-dimethyl-3-(trifluoromethyl)hexane;(3S)-4-ethyl-2,3,4-trimethyl-3-(trifluoromethyl)hexane;1-methyl-1-(trifluoromethyl)cyclopentane;2,4,6-trimethyl-3,5-di(propan-2-yl)-4-(trifluoromethyl)heptane;(3S)-2,3,5-trimethyl-4-propan-2-yl-3-(trifluoromethyl)hexane
• PubChem CID: 164969219
• Molecular Formula: C88H167F21
• Molecular Weight: 1624.26 g/mol
• Exact Mass: 1623.27
• IUPAC Name: 3,5-diethyl-4-methyl-4-(trifluoromethyl)heptane;3,5-diethyl-3,4,5-trimethyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-2,3-dimethyl-3-(trifluoromethyl)hexane;(3S)-4-ethyl-2,3,4-trimethyl-3-(trifluoromethyl)hexane;1-methyl-1-(trifluoromethyl)cyclopentane;2,4,6-trimethyl-3,5-di(propan-2-yl)-4-(trifluoromethyl)heptane;(3S)-2,3,5-trimethyl-4-propan-2-yl-3-(trifluoromethyl)hexane
• SMILES: CC(C)C(C(C)C)C(C)(C(C(C)C)C(C)C)C(F)(F)F.CC(C)C(C(C)C)[C@](C)(C(C)C)C(F)(F)F.CC1(C(F)(F)F)CCCC1.CCC(C)(CC)C(C)(C(F)(F)F)C(C)(CC)CC.CCC(C)(CC)[C@](C)(C(C)C)C(F)(F)F.CCC(CC)C(C)(C(CC)CC)C(F)(F)F.CCC(CC)[C@](C)(C(C)C)C(F)(F)F
• InChI: InChI=1S/C17H33F3.C15H29F3.2C13H25F3.C12H23F3.C11H21F3.C7H11F3/c1-10(2)14(11(3)4)16(9,17(18,19)20)15(12(5)6)13(7)8;1-8-12(5,9-2)14(7,15(16,17)18)13(6,10-3)11-4;1-8(2)11(9(3)4)12(7,10(5)6)13(14,15)16;1-6-10(7-2)12(5,13(14,15)16)11(8-3)9-4;1-7-10(5,8-2)11(6,9(3)4)12(13,14)15;1-6-9(7-2)10(5,8(3)4)11(12,13)14;1-6(7(8,9)10)4-2-3-5-6/h10-15H,1-9H3;8-11H2,1-7H3;8-11H,1-7H3;10-11H,6-9H2,1-5H3;9H,7-8H2,1-6H3;8-9H,6-7H2,1-5H3;2-5H2,1H3/t;;12-;;11-;10-;/m..0.00./s1
• InChIKey: CWXDWIAWBDIXSD-BEHZUGBVSA-N
• XLogP: 36.00
• TPSA: 0.00 Ų
• Rotatable Bonds: 30
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1624.26
LogP ≤ 5	36.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-methyl-4-(trifluoromethyl)heptane;3,5-diethyl-3,4,5-trimethyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-2,3-dimethyl-3-(trifluoromethyl)hexane;(3S)-4-ethyl-2,3,4-trimethyl-3-(trifluoromethyl)hexane;1-methyl-1-(trifluoromethyl)cyclopentane;2,4,6-trimethyl-3,5-di(propan-2-yl)-4-(trifluoromethyl)heptane;(3S)-2,3,5-trimethyl-4-propan-2-yl-3-(trifluoromethyl)hexane?

The IUPAC name of 3,5-diethyl-4-methyl-4-(trifluoromethyl)heptane;3,5-diethyl-3,4,5-trimethyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-2,3-dimethyl-3-(trifluoromethyl)hexane;(3S)-4-ethyl-2,3,4-trimethyl-3-(trifluoromethyl)hexane;1-methyl-1-(trifluoromethyl)cyclopentane;2,4,6-trimethyl-3,5-di(propan-2-yl)-4-(trifluoromethyl)heptane;(3S)-2,3,5-trimethyl-4-propan-2-yl-3-(trifluoromethyl)hexane (CID 164969219) is 3,5-diethyl-4-methyl-4-(trifluoromethyl)heptane;3,5-diethyl-3,4,5-trimethyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-2,3-dimethyl-3-(trifluoromethyl)hexane;(3S)-4-ethyl-2,3,4-trimethyl-3-(trifluoromethyl)hexane;1-methyl-1-(trifluoromethyl)cyclopentane;2,4,6-trimethyl-3,5-di(propan-2-yl)-4-(trifluoromethyl)heptane;(3S)-2,3,5-trimethyl-4-propan-2-yl-3-(trifluoromethyl)hexane.

What is the SMILES notation for 3,5-diethyl-4-methyl-4-(trifluoromethyl)heptane;3,5-diethyl-3,4,5-trimethyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-2,3-dimethyl-3-(trifluoromethyl)hexane;(3S)-4-ethyl-2,3,4-trimethyl-3-(trifluoromethyl)hexane;1-methyl-1-(trifluoromethyl)cyclopentane;2,4,6-trimethyl-3,5-di(propan-2-yl)-4-(trifluoromethyl)heptane;(3S)-2,3,5-trimethyl-4-propan-2-yl-3-(trifluoromethyl)hexane?

The canonical SMILES for 3,5-diethyl-4-methyl-4-(trifluoromethyl)heptane;3,5-diethyl-3,4,5-trimethyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-2,3-dimethyl-3-(trifluoromethyl)hexane;(3S)-4-ethyl-2,3,4-trimethyl-3-(trifluoromethyl)hexane;1-methyl-1-(trifluoromethyl)cyclopentane;2,4,6-trimethyl-3,5-di(propan-2-yl)-4-(trifluoromethyl)heptane;(3S)-2,3,5-trimethyl-4-propan-2-yl-3-(trifluoromethyl)hexane is CC(C)C(C(C)C)C(C)(C(C(C)C)C(C)C)C(F)(F)F.CC(C)C(C(C)C)[C@](C)(C(C)C)C(F)(F)F.CC1(C(F)(F)F)CCCC1.CCC(C)(CC)C(C)(C(F)(F)F)C(C)(CC)CC.CCC(C)(CC)[C@](C)(C(C)C)C(F)(F)F.CCC(CC)C(C)(C(CC)CC)C(F)(F)F.CCC(CC)[C@](C)(C(C)C)C(F)(F)F.

What is the InChIKey of 3,5-diethyl-4-methyl-4-(trifluoromethyl)heptane;3,5-diethyl-3,4,5-trimethyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-2,3-dimethyl-3-(trifluoromethyl)hexane;(3S)-4-ethyl-2,3,4-trimethyl-3-(trifluoromethyl)hexane;1-methyl-1-(trifluoromethyl)cyclopentane;2,4,6-trimethyl-3,5-di(propan-2-yl)-4-(trifluoromethyl)heptane;(3S)-2,3,5-trimethyl-4-propan-2-yl-3-(trifluoromethyl)hexane?

The InChIKey is CWXDWIAWBDIXSD-BEHZUGBVSA-N. The full InChI is InChI=1S/C17H33F3.C15H29F3.2C13H25F3.C12H23F3.C11H21F3.C7H11F3/c1-10(2)14(11(3)4)16(9,17(18,19)20)15(12(5)6)13(7)8;1-8-12(5,9-2)14(7,15(16,17)18)13(6,10-3)11-4;1-8(2)11(9(3)4)12(7,10(5)6)13(14,15)16;1-6-10(7-2)12(5,13(14,15)16)11(8-3)9-4;1-7-10(5,8-2)11(6,9(3)4)12(13,14)15;1-6-9(7-2)10(5,8(3)4)11(12,13)14;1-6(7(8,9)10)4-2-3-5-6/h10-15H,1-9H3;8-11H2,1-7H3;8-11H,1-7H3;10-11H,6-9H2,1-5H3;9H,7-8H2,1-6H3;8-9H,6-7H2,1-5H3;2-5H2,1H3/t;;12-;;11-;10-;/m..0.00./s1.

What are the key properties of 3,5-diethyl-4-methyl-4-(trifluoromethyl)heptane;3,5-diethyl-3,4,5-trimethyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-2,3-dimethyl-3-(trifluoromethyl)hexane;(3S)-4-ethyl-2,3,4-trimethyl-3-(trifluoromethyl)hexane;1-methyl-1-(trifluoromethyl)cyclopentane;2,4,6-trimethyl-3,5-di(propan-2-yl)-4-(trifluoromethyl)heptane;(3S)-2,3,5-trimethyl-4-propan-2-yl-3-(trifluoromethyl)hexane?

3,5-diethyl-4-methyl-4-(trifluoromethyl)heptane;3,5-diethyl-3,4,5-trimethyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-2,3-dimethyl-3-(trifluoromethyl)hexane;(3S)-4-ethyl-2,3,4-trimethyl-3-(trifluoromethyl)hexane;1-methyl-1-(trifluoromethyl)cyclopentane;2,4,6-trimethyl-3,5-di(propan-2-yl)-4-(trifluoromethyl)heptane;(3S)-2,3,5-trimethyl-4-propan-2-yl-3-(trifluoromethyl)hexane has a molecular weight of 1624.26 g/mol, XLogP of 36.00, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-diethyl-4-methyl-4-(trifluoromethyl)heptane;3,5-diethyl-3,4,5-trimethyl-4-(trifluoromethyl)heptane;(3S)-4-ethyl-2,3-dimethyl-3-(trifluoromethyl)hexane;(3S)-4-ethyl-2,3,4-trimethyl-3-(trifluoromethyl)hexane;1-methyl-1-(trifluoromethyl)cyclopentane;2,4,6-trimethyl-3,5-di(propan-2-yl)-4-(trifluoromethyl)heptane;(3S)-2,3,5-trimethyl-4-propan-2-yl-3-(trifluoromethyl)hexane is sourced from PubChem (CID 164969219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).