1,1,1-trifluoro-2-(trifluoromethyl)nonan-2-ol

C10H16F6O — CID 91098337

IUPAC1,1,1-trifluoro-2-(trifluoromethyl)nonan-2-ol
SMILESCCCCCCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O/c1-2-3-4-5-6-7-8(17,9(11,12)13)10(14,15)16/h17H,2-7H2,1H3
InChIKeyNOUSUFGJTXQRQE-UHFFFAOYSA-N
MW266.22 g/mol
LogP4.20
Rot. Bonds6

About 1,1,1-trifluoro-2-(trifluoromethyl)nonan-2-ol

1,1,1-trifluoro-2-(trifluoromethyl)nonan-2-ol (PubChem CID 91098337) has the molecular formula C10H16F6O and a molecular weight of 266.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(trifluoromethyl)nonan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(trifluoromethyl)nonan-2-ol
PubChem CID91098337
Molecular FormulaC10H16F6O
Molecular Weight266.22 g/mol
Exact Mass266.11
IUPAC Name1,1,1-trifluoro-2-(trifluoromethyl)nonan-2-ol
SMILESCCCCCCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O/c1-2-3-4-5-6-7-8(17,9(11,12)13)10(14,15)16/h17H,2-7H2,1H3
InChIKeyNOUSUFGJTXQRQE-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Octanol, 2-methyl-
CID 69406
2-Nonanol, 2-methyl-
CID 25139
2-Methyl-2-decanol
CID 137918
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
2-Methyl-2-undecanol
CID 11217676
2-Methyl-2-dodecanol
CID 547702
11-Fluoro-2-methylundecan-2-ol
CID 13507844
2-Methyl-2-tridecanol
CID 10867656
3,3,4,4,5,5,6,6,7,7,8,8-Dodecafluoro-2-methyloctan-2-ol
CID 257713

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)nonan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)nonan-2-ol (CID 91098337) is 1,1,1-trifluoro-2-(trifluoromethyl)nonan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(trifluoromethyl)nonan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(trifluoromethyl)nonan-2-ol is CCCCCCCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(trifluoromethyl)nonan-2-ol?
The InChIKey is NOUSUFGJTXQRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6O/c1-2-3-4-5-6-7-8(17,9(11,12)13)10(14,15)16/h17H,2-7H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(trifluoromethyl)nonan-2-ol?
1,1,1-trifluoro-2-(trifluoromethyl)nonan-2-ol has a molecular weight of 266.22 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(trifluoromethyl)nonan-2-ol is sourced from PubChem (CID 91098337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).