3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-fluoro-2,4-dimethylheptane;3-fluoro-2,3-dimethylpentane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane

C80H169F9 — CID 165078400

About 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-fluoro-2,4-dimethylheptane;3-fluoro-2,3-dimethylpentane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane

3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-fluoro-2,4-dimethylheptane;3-fluoro-2,3-dimethylpentane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane (PubChem CID 165078400) has the molecular formula C80H169F9 and a molecular weight of 1302.21 g/mol. Its IUPAC name is 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-fluoro-2,4-dimethylheptane;3-fluoro-2,3-dimethylpentane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane.

Molecular Properties

• Compound Name: 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-fluoro-2,4-dimethylheptane;3-fluoro-2,3-dimethylpentane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane
• PubChem CID: 165078400
• Molecular Formula: C80H169F9
• Molecular Weight: 1302.21 g/mol
• Exact Mass: 1301.31
• IUPAC Name: 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-fluoro-2,4-dimethylheptane;3-fluoro-2,3-dimethylpentane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane
• SMILES: CCC(C)(F)C(C(C)C)C(C)C.CCC(C)(F)C(C)(CC)CC.CCC(C)(F)C(C)C.CCC(C)(F)CC.CCC(CC)C(C)(F)CC.CCCC(C)(F)C(C)(CC)CC.CCCC(C)(F)C(CC)CC.CCCC(C)(F)CC.CCCC(C)(F)CC(C)C
• InChI: InChI=1S/2C11H23F.2C10H21F.2C9H19F.2C7H15F.C6H13F/c1-7-11(6,12)10(8(2)3)9(4)5;1-6-9-11(5,12)10(4,7-2)8-3;1-6-9(4,7-2)10(5,11)8-3;1-5-8-10(4,11)9(6-2)7-3;1-5-6-9(4,10)7-8(2)3;1-5-8(6-2)9(4,10)7-3;1-5-7(4,8)6(2)3;1-4-6-7(3,8)5-2;1-4-6(3,7)5-2/h8-10H,7H2,1-6H3;6-9H2,1-5H3;6-8H2,1-5H3;9H,5-8H2,1-4H3;2*8H,5-7H2,1-4H3;6H,5H2,1-4H3;4-6H2,1-3H3;4-5H2,1-3H3
• InChIKey: USCJOQBWDOZQPS-UHFFFAOYSA-N
• XLogP: 31.66
• TPSA: 0.00 Ų
• Rotatable Bonds: 33
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1302.21
LogP ≤ 5	31.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-fluoro-2,4-dimethylheptane;3-fluoro-2,3-dimethylpentane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane?

The IUPAC name of 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-fluoro-2,4-dimethylheptane;3-fluoro-2,3-dimethylpentane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane (CID 165078400) is 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-fluoro-2,4-dimethylheptane;3-fluoro-2,3-dimethylpentane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane.

What is the SMILES notation for 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-fluoro-2,4-dimethylheptane;3-fluoro-2,3-dimethylpentane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane?

The canonical SMILES for 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-fluoro-2,4-dimethylheptane;3-fluoro-2,3-dimethylpentane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane is CCC(C)(F)C(C(C)C)C(C)C.CCC(C)(F)C(C)(CC)CC.CCC(C)(F)C(C)C.CCC(C)(F)CC.CCC(CC)C(C)(F)CC.CCCC(C)(F)C(C)(CC)CC.CCCC(C)(F)C(CC)CC.CCCC(C)(F)CC.CCCC(C)(F)CC(C)C.

What is the InChIKey of 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-fluoro-2,4-dimethylheptane;3-fluoro-2,3-dimethylpentane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane?

The InChIKey is USCJOQBWDOZQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H23F.2C10H21F.2C9H19F.2C7H15F.C6H13F/c1-7-11(6,12)10(8(2)3)9(4)5;1-6-9-11(5,12)10(4,7-2)8-3;1-6-9(4,7-2)10(5,11)8-3;1-5-8-10(4,11)9(6-2)7-3;1-5-6-9(4,10)7-8(2)3;1-5-8(6-2)9(4,10)7-3;1-5-7(4,8)6(2)3;1-4-6-7(3,8)5-2;1-4-6(3,7)5-2/h8-10H,7H2,1-6H3;6-9H2,1-5H3;6-8H2,1-5H3;9H,5-8H2,1-4H3;2*8H,5-7H2,1-4H3;6H,5H2,1-4H3;4-6H2,1-3H3;4-5H2,1-3H3.

What are the key properties of 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-fluoro-2,4-dimethylheptane;3-fluoro-2,3-dimethylpentane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane?

3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-fluoro-2,4-dimethylheptane;3-fluoro-2,3-dimethylpentane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane has a molecular weight of 1302.21 g/mol, XLogP of 31.66, 33 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-4-fluoro-3,4-dimethylheptane;3-ethyl-4-fluoro-3,4-dimethylhexane;3-ethyl-4-fluoro-4-methylheptane;4-ethyl-3-fluoro-3-methylhexane;4-fluoro-2,4-dimethylheptane;3-fluoro-2,3-dimethylpentane;4-fluoro-2,4-dimethyl-3-propan-2-ylhexane;3-fluoro-3-methylhexane;3-fluoro-3-methylpentane is sourced from PubChem (CID 165078400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).