1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-2-ol

C9H14F6O — CID 21360385

IUPAC1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-2-ol
SMILESCC(C)CCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6O/c1-6(2)4-3-5-7(16,8(10,11)12)9(13,14)15/h6,16H,3-5H2,1-2H3
InChIKeyRMSYIFYVNUMBNP-UHFFFAOYSA-N
MW252.20 g/mol
LogP3.67
Rot. Bonds4

About 1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-2-ol

1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-2-ol (PubChem CID 21360385) has the molecular formula C9H14F6O and a molecular weight of 252.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-2-ol
PubChem CID21360385
Molecular FormulaC9H14F6O
Molecular Weight252.20 g/mol
Exact Mass252.09
IUPAC Name1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-2-ol
SMILESCC(C)CCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6O/c1-6(2)4-3-5-7(16,8(10,11)12)9(13,14)15/h6,16H,3-5H2,1-2H3
InChIKeyRMSYIFYVNUMBNP-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heptadecafluoro-2-methyldodecan-2-ol
CID 2782401
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Pentadecafluoro-2-methylnonan-2-ol
CID 13169982
5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-2-methyldecan-2-ol
CID 57740570
5,5,6,6,7,7,8,8,8-Nonafluoro-2-methyloctan-2-ol
CID 101027898
3,3,4,4,5,5,6,6,7,7,8,8-Dodecafluoro-2-methyloctan-2-ol
CID 257713
1,1,1,7,7,7-Hexafluoro-2,6-bis(trifluoromethyl)heptane-2,6-diol
CID 12586967
1,1,1-Trifluoro-2-(trifluoromethyl)heptan-2-ol
CID 12586970
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-2-methyldecan-2-ol
CID 13928894
1,1,1-Trifluoro-2-(trifluoromethyl)nonan-2-ol
CID 91098337
7,7,8,8,9,9,10,10,10-Nonafluoro-5-methyldecan-5-ol
CID 134957960
7,7,7-Trifluoro-2-methyl-4-(trifluoromethyl)heptan-2-ol
CID 23272296
9,9,9-Trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol
CID 23272476

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-2-ol?
The IUPAC name of 1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-2-ol (CID 21360385) is 1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-2-ol is CC(C)CCCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-2-ol?
The InChIKey is RMSYIFYVNUMBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6O/c1-6(2)4-3-5-7(16,8(10,11)12)9(13,14)15/h6,16H,3-5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-2-ol?
1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-2-ol has a molecular weight of 252.20 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)heptan-2-ol is sourced from PubChem (CID 21360385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).