(2S)-1,1,1-trifluorooctan-2-ol

C8H15F3O — CID 7000124

IUPAC(2S)-1,1,1-trifluorooctan-2-ol
SMILESCCCCCC[C@H](O)C(F)(F)F
InChIInChI=1S/C8H15F3O/c1-2-3-4-5-6-7(12)8(9,10)11/h7,12H,2-6H2,1H3/t7-/m0/s1
InChIKeyINAIBHXNHIEDAM-ZETCQYMHSA-N
MW184.20 g/mol
LogP2.88
Rot. Bonds5

About (2S)-1,1,1-trifluorooctan-2-ol

(2S)-1,1,1-trifluorooctan-2-ol (PubChem CID 7000124) has the molecular formula C8H15F3O and a molecular weight of 184.20 g/mol. Its IUPAC name is (2S)-1,1,1-trifluorooctan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluorooctan-2-ol
PubChem CID7000124
Molecular FormulaC8H15F3O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name(2S)-1,1,1-trifluorooctan-2-ol
SMILESCCCCCC[C@H](O)C(F)(F)F
InChIInChI=1S/C8H15F3O/c1-2-3-4-5-6-7(12)8(9,10)11/h7,12H,2-6H2,1H3/t7-/m0/s1
InChIKeyINAIBHXNHIEDAM-ZETCQYMHSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.88
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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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluorooctan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluorooctan-2-ol (CID 7000124) is (2S)-1,1,1-trifluorooctan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluorooctan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluorooctan-2-ol is CCCCCC[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluorooctan-2-ol?
The InChIKey is INAIBHXNHIEDAM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15F3O/c1-2-3-4-5-6-7(12)8(9,10)11/h7,12H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluorooctan-2-ol?
(2S)-1,1,1-trifluorooctan-2-ol has a molecular weight of 184.20 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluorooctan-2-ol is sourced from PubChem (CID 7000124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).