1,1,1,2,3,4-hexafluoro-2-methyl-4-(trifluoromethyl)heptane

C9H11F9 — CID 158078456

IUPAC1,1,1,2,3,4-hexafluoro-2-methyl-4-(trifluoromethyl)heptane
SMILESCCCC(F)(C(F)C(C)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F9/c1-3-4-7(12,9(16,17)18)5(10)6(2,11)8(13,14)15/h5H,3-4H2,1-2H3
InChIKeyFMQRFSCSXANROM-UHFFFAOYSA-N
MW290.17 g/mol
LogP4.69
Rot. Bonds4

About 1,1,1,2,3,4-hexafluoro-2-methyl-4-(trifluoromethyl)heptane

1,1,1,2,3,4-hexafluoro-2-methyl-4-(trifluoromethyl)heptane (PubChem CID 158078456) has the molecular formula C9H11F9 and a molecular weight of 290.17 g/mol. Its IUPAC name is 1,1,1,2,3,4-hexafluoro-2-methyl-4-(trifluoromethyl)heptane.

Molecular Properties

Compound Name1,1,1,2,3,4-hexafluoro-2-methyl-4-(trifluoromethyl)heptane
PubChem CID158078456
Molecular FormulaC9H11F9
Molecular Weight290.17 g/mol
Exact Mass290.07
IUPAC Name1,1,1,2,3,4-hexafluoro-2-methyl-4-(trifluoromethyl)heptane
SMILESCCCC(F)(C(F)C(C)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H11F9/c1-3-4-7(12,9(16,17)18)5(10)6(2,11)8(13,14)15/h5H,3-4H2,1-2H3
InChIKeyFMQRFSCSXANROM-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1,2,3,4,5,5,5-nonafluoro-2-methyl-4-(trifluoromethyl)pentane
CID 54544362
1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane
CID 19105659
3,4,4-trifluoroheptane;hydrofluoride
CID 90932672
ethane;1,1,1-trifluoro-2,2-dimethylpentane
CID 157037370
(3S)-3-fluoro-2,3-dimethylhexane
CID 169026252
2-(difluoromethoxy)-2-methylpentane
CID 170269206
4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane
CID 167184895
ethane;heptane;1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pentane
CID 54056623
1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane
CID 86215913
ethane;2,3,3-trifluoro-2-methylhexane
CID 178006471
3-ethyl-2-fluoro-2,3-dimethylhexane
CID 155261680
1,1,1,2,2,3,3-heptafluoro-4-methylheptan-4-ol
CID 150244186

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4-hexafluoro-2-methyl-4-(trifluoromethyl)heptane?
The IUPAC name of 1,1,1,2,3,4-hexafluoro-2-methyl-4-(trifluoromethyl)heptane (CID 158078456) is 1,1,1,2,3,4-hexafluoro-2-methyl-4-(trifluoromethyl)heptane.
What is the SMILES notation for 1,1,1,2,3,4-hexafluoro-2-methyl-4-(trifluoromethyl)heptane?
The canonical SMILES for 1,1,1,2,3,4-hexafluoro-2-methyl-4-(trifluoromethyl)heptane is CCCC(F)(C(F)C(C)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4-hexafluoro-2-methyl-4-(trifluoromethyl)heptane?
The InChIKey is FMQRFSCSXANROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F9/c1-3-4-7(12,9(16,17)18)5(10)6(2,11)8(13,14)15/h5H,3-4H2,1-2H3.
What are the key properties of 1,1,1,2,3,4-hexafluoro-2-methyl-4-(trifluoromethyl)heptane?
1,1,1,2,3,4-hexafluoro-2-methyl-4-(trifluoromethyl)heptane has a molecular weight of 290.17 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4-hexafluoro-2-methyl-4-(trifluoromethyl)heptane is sourced from PubChem (CID 158078456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).