2,2,4,5,5,6-hexafluoro-6-(fluoromethyl)-7,7-dimethyl-4-(2-methylbutan-2-yl)nonane

C17H29F7 — CID 155017476

IUPAC2,2,4,5,5,6-hexafluoro-6-(fluoromethyl)-7,7-dimethyl-4-(2-methylbutan-2-yl)nonane
SMILESCCC(C)(C)C(F)(CF)C(F)(F)C(F)(CC(C)(F)F)C(C)(C)CC
InChIInChI=1S/C17H29F7/c1-8-12(3,4)15(21,10-14(7,19)20)17(23,24)16(22,11-18)13(5,6)9-2/h8-11H2,1-7H3
InChIKeyFAUYNCUYZWSJSH-UHFFFAOYSA-N
MW366.41 g/mol
LogP6.93
Rot. Bonds9

About 2,2,4,5,5,6-hexafluoro-6-(fluoromethyl)-7,7-dimethyl-4-(2-methylbutan-2-yl)nonane

2,2,4,5,5,6-hexafluoro-6-(fluoromethyl)-7,7-dimethyl-4-(2-methylbutan-2-yl)nonane (PubChem CID 155017476) has the molecular formula C17H29F7 and a molecular weight of 366.41 g/mol. Its IUPAC name is 2,2,4,5,5,6-hexafluoro-6-(fluoromethyl)-7,7-dimethyl-4-(2-methylbutan-2-yl)nonane.

Molecular Properties

Compound Name2,2,4,5,5,6-hexafluoro-6-(fluoromethyl)-7,7-dimethyl-4-(2-methylbutan-2-yl)nonane
PubChem CID155017476
Molecular FormulaC17H29F7
Molecular Weight366.41 g/mol
Exact Mass366.22
IUPAC Name2,2,4,5,5,6-hexafluoro-6-(fluoromethyl)-7,7-dimethyl-4-(2-methylbutan-2-yl)nonane
SMILESCCC(C)(C)C(F)(CF)C(F)(F)C(F)(CC(C)(F)F)C(C)(C)CC
InChIInChI=1S/C17H29F7/c1-8-12(3,4)15(21,10-14(7,19)20)17(23,24)16(22,11-18)13(5,6)9-2/h8-11H2,1-7H3
InChIKeyFAUYNCUYZWSJSH-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.41
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 88578867
(2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane
CID 89245722
2,2,4,4,6,6,8,8-octafluorodecane
CID 126493051
4,4-difluoro-3,3,5-trimethyl-5-(trifluoromethyl)heptane
CID 87075252
1,1,1-trifluoro-3,3-dimethylpentane
CID 21014884
2-fluoro-2,4,4-trimethylhexane
CID 155702638
fluoroethane;fluoromethane;1,1,1,3,3-pentafluorobutane;1,1,1,2,3-pentafluoro-2-methylpropane;1,2,2-trifluoropropane
CID 161261596
1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane
CID 129234675
4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane
CID 137409312
2,2,3,3,4-pentafluoro-4-(trifluoromethyl)hexane
CID 90262453
2,3,3,4-tetrafluoro-2-methyl-4-(trifluoromethyl)hexane
CID 158342354
1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane
CID 59211713

Frequently Asked Questions

What is the IUPAC name of 2,2,4,5,5,6-hexafluoro-6-(fluoromethyl)-7,7-dimethyl-4-(2-methylbutan-2-yl)nonane?
The IUPAC name of 2,2,4,5,5,6-hexafluoro-6-(fluoromethyl)-7,7-dimethyl-4-(2-methylbutan-2-yl)nonane (CID 155017476) is 2,2,4,5,5,6-hexafluoro-6-(fluoromethyl)-7,7-dimethyl-4-(2-methylbutan-2-yl)nonane.
What is the SMILES notation for 2,2,4,5,5,6-hexafluoro-6-(fluoromethyl)-7,7-dimethyl-4-(2-methylbutan-2-yl)nonane?
The canonical SMILES for 2,2,4,5,5,6-hexafluoro-6-(fluoromethyl)-7,7-dimethyl-4-(2-methylbutan-2-yl)nonane is CCC(C)(C)C(F)(CF)C(F)(F)C(F)(CC(C)(F)F)C(C)(C)CC.
What is the InChIKey of 2,2,4,5,5,6-hexafluoro-6-(fluoromethyl)-7,7-dimethyl-4-(2-methylbutan-2-yl)nonane?
The InChIKey is FAUYNCUYZWSJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F7/c1-8-12(3,4)15(21,10-14(7,19)20)17(23,24)16(22,11-18)13(5,6)9-2/h8-11H2,1-7H3.
What are the key properties of 2,2,4,5,5,6-hexafluoro-6-(fluoromethyl)-7,7-dimethyl-4-(2-methylbutan-2-yl)nonane?
2,2,4,5,5,6-hexafluoro-6-(fluoromethyl)-7,7-dimethyl-4-(2-methylbutan-2-yl)nonane has a molecular weight of 366.41 g/mol, XLogP of 6.93, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5,5,6-hexafluoro-6-(fluoromethyl)-7,7-dimethyl-4-(2-methylbutan-2-yl)nonane is sourced from PubChem (CID 155017476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).