1,1,1,5-tetrafluoro-2,4,5,6-tetramethyl-4-propan-2-yl-2-(trifluoromethyl)heptane

C15H25F7 — CID 162585393

IUPAC1,1,1,5-tetrafluoro-2,4,5,6-tetramethyl-4-propan-2-yl-2-(trifluoromethyl)heptane
SMILESCC(C)C(C)(F)C(C)(CC(C)(C(F)(F)F)C(F)(F)F)C(C)C
InChIInChI=1S/C15H25F7/c1-9(2)11(5,13(7,16)10(3)4)8-12(6,14(17,18)19)15(20,21)22/h9-10H,8H2,1-7H3
InChIKeyAMIQRQWSOYYBGA-UHFFFAOYSA-N
MW338.35 g/mol
LogP6.55
Rot. Bonds5

About 1,1,1,5-tetrafluoro-2,4,5,6-tetramethyl-4-propan-2-yl-2-(trifluoromethyl)heptane

1,1,1,5-tetrafluoro-2,4,5,6-tetramethyl-4-propan-2-yl-2-(trifluoromethyl)heptane (PubChem CID 162585393) has the molecular formula C15H25F7 and a molecular weight of 338.35 g/mol. Its IUPAC name is 1,1,1,5-tetrafluoro-2,4,5,6-tetramethyl-4-propan-2-yl-2-(trifluoromethyl)heptane.

Molecular Properties

Compound Name1,1,1,5-tetrafluoro-2,4,5,6-tetramethyl-4-propan-2-yl-2-(trifluoromethyl)heptane
PubChem CID162585393
Molecular FormulaC15H25F7
Molecular Weight338.35 g/mol
Exact Mass338.18
IUPAC Name1,1,1,5-tetrafluoro-2,4,5,6-tetramethyl-4-propan-2-yl-2-(trifluoromethyl)heptane
SMILESCC(C)C(C)(F)C(C)(CC(C)(C(F)(F)F)C(F)(F)F)C(C)C
InChIInChI=1S/C15H25F7/c1-9(2)11(5,13(7,16)10(3)4)8-12(6,14(17,18)19)15(20,21)22/h9-10H,8H2,1-7H3
InChIKeyAMIQRQWSOYYBGA-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.35
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane
CID 162570154
methane;1,1,1,2-tetrafluoro-2,3-dimethylbutane
CID 158961607
2,3-dimethyl-3-(trifluoromethyl)pentane
CID 129215911
2,3-dimethyl-2-(trifluoromethyl)butan-1-ol
CID 134604983
methane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane
CID 161018111
4-tert-butyl-1,1,1,5-tetrafluoro-2,4,5,6,6-pentamethyl-2-(trifluoromethyl)octane
CID 162585423
3-fluoro-2,5,5-trimethyl-3-(trifluoromethyl)heptane
CID 121371775
1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane
CID 19105659
2-chloro-2-fluoro-3-methylbutane
CID 88897527
4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane
CID 167184895
3-fluoro-2,3,5,5-tetramethylheptane
CID 89233452
1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane
CID 21062401

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5-tetrafluoro-2,4,5,6-tetramethyl-4-propan-2-yl-2-(trifluoromethyl)heptane?
The IUPAC name of 1,1,1,5-tetrafluoro-2,4,5,6-tetramethyl-4-propan-2-yl-2-(trifluoromethyl)heptane (CID 162585393) is 1,1,1,5-tetrafluoro-2,4,5,6-tetramethyl-4-propan-2-yl-2-(trifluoromethyl)heptane.
What is the SMILES notation for 1,1,1,5-tetrafluoro-2,4,5,6-tetramethyl-4-propan-2-yl-2-(trifluoromethyl)heptane?
The canonical SMILES for 1,1,1,5-tetrafluoro-2,4,5,6-tetramethyl-4-propan-2-yl-2-(trifluoromethyl)heptane is CC(C)C(C)(F)C(C)(CC(C)(C(F)(F)F)C(F)(F)F)C(C)C.
What is the InChIKey of 1,1,1,5-tetrafluoro-2,4,5,6-tetramethyl-4-propan-2-yl-2-(trifluoromethyl)heptane?
The InChIKey is AMIQRQWSOYYBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F7/c1-9(2)11(5,13(7,16)10(3)4)8-12(6,14(17,18)19)15(20,21)22/h9-10H,8H2,1-7H3.
What are the key properties of 1,1,1,5-tetrafluoro-2,4,5,6-tetramethyl-4-propan-2-yl-2-(trifluoromethyl)heptane?
1,1,1,5-tetrafluoro-2,4,5,6-tetramethyl-4-propan-2-yl-2-(trifluoromethyl)heptane has a molecular weight of 338.35 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5-tetrafluoro-2,4,5,6-tetramethyl-4-propan-2-yl-2-(trifluoromethyl)heptane is sourced from PubChem (CID 162585393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).