9,9,9-trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol

C12H17F9O — CID 23272476

IUPAC9,9,9-trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol
SMILESCC(C)(O)CC(CC(CCC(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F9O/c1-9(2,22)6-8(12(19,20)21)5-7(11(16,17)18)3-4-10(13,14)15/h7-8,22H,3-6H2,1-2H3
InChIKeyLPKHBXYEWFCMIK-UHFFFAOYSA-N
MW348.25 g/mol
LogP5.24
Rot. Bonds6

About 9,9,9-trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol

9,9,9-trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol (PubChem CID 23272476) has the molecular formula C12H17F9O and a molecular weight of 348.25 g/mol. Its IUPAC name is 9,9,9-trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol.

Molecular Properties

Compound Name9,9,9-trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol
PubChem CID23272476
Molecular FormulaC12H17F9O
Molecular Weight348.25 g/mol
Exact Mass348.11
IUPAC Name9,9,9-trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol
SMILESCC(C)(O)CC(CC(CCC(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F9O/c1-9(2,22)6-8(12(19,20)21)5-7(11(16,17)18)3-4-10(13,14)15/h7-8,22H,3-6H2,1-2H3
InChIKeyLPKHBXYEWFCMIK-UHFFFAOYSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.25
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydromyrcenol
CID 86751
3-Dodecanol, 3,7,11-trimethyl-
CID 23701
(6S)-2,6-dimethyloctan-2-ol
CID 445183
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
(2S)-2-(Nonafluorobutyl)octan-1-ol
CID 121008108
2-Cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 61644687
3,3,4,4,5,5,6,6,7,7,8,8-Dodecafluoro-2-methyloctan-2-ol
CID 257713
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-methyl-2-undecanol
CID 14871184

Frequently Asked Questions

What is the IUPAC name of 9,9,9-trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol?
The IUPAC name of 9,9,9-trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol (CID 23272476) is 9,9,9-trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol.
What is the SMILES notation for 9,9,9-trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol?
The canonical SMILES for 9,9,9-trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol is CC(C)(O)CC(CC(CCC(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 9,9,9-trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol?
The InChIKey is LPKHBXYEWFCMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F9O/c1-9(2,22)6-8(12(19,20)21)5-7(11(16,17)18)3-4-10(13,14)15/h7-8,22H,3-6H2,1-2H3.
What are the key properties of 9,9,9-trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol?
9,9,9-trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol has a molecular weight of 348.25 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,9-trifluoro-2-methyl-4,6-bis(trifluoromethyl)nonan-2-ol is sourced from PubChem (CID 23272476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).