(2R)-1,1,1-trifluoro-7-methyloctan-2-ol

C9H17F3O — CID 18396357

IUPAC(2R)-1,1,1-trifluoro-7-methyloctan-2-ol
SMILESCC(C)CCCC[C@@H](O)C(F)(F)F
InChIInChI=1S/C9H17F3O/c1-7(2)5-3-4-6-8(13)9(10,11)12/h7-8,13H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyJVNBPZYIRWCHQU-MRVPVSSYSA-N
MW198.23 g/mol
LogP3.13
Rot. Bonds5

About (2R)-1,1,1-trifluoro-7-methyloctan-2-ol

(2R)-1,1,1-trifluoro-7-methyloctan-2-ol (PubChem CID 18396357) has the molecular formula C9H17F3O and a molecular weight of 198.23 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-7-methyloctan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-7-methyloctan-2-ol
PubChem CID18396357
Molecular FormulaC9H17F3O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name(2R)-1,1,1-trifluoro-7-methyloctan-2-ol
SMILESCC(C)CCCC[C@@H](O)C(F)(F)F
InChIInChI=1S/C9H17F3O/c1-7(2)5-3-4-6-8(13)9(10,11)12/h7-8,13H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyJVNBPZYIRWCHQU-MRVPVSSYSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 53.13
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

1,1,1-trifluoro-6-(methylamino)hexan-2-ol
CID 84732703
(2R)-1,1,1-trifluoroundecan-2-ol
CID 2779105
(2S)-1,1,1-trifluorodecan-2-ol
CID 10878470
6,6-difluoro-2,10-dimethylundecane
CID 169289858
1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-ol
CID 103312619
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815
(2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol
CID 10198260
10-ethoxy-1,1,1-trifluorodecan-2-ol
CID 86189496
8-ethoxy-1,1,1-trifluorooctan-2-ol
CID 19365294
1,1,1-trifluorooct-7-en-2-ol
CID 54303988
1,1,1-trifluoro-6-nonoxyhexan-2-ol
CID 139609821
1,1,1-trifluoro-8-pentoxyoctan-2-ol
CID 139609867

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-7-methyloctan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-7-methyloctan-2-ol (CID 18396357) is (2R)-1,1,1-trifluoro-7-methyloctan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-7-methyloctan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-7-methyloctan-2-ol is CC(C)CCCC[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-7-methyloctan-2-ol?
The InChIKey is JVNBPZYIRWCHQU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17F3O/c1-7(2)5-3-4-6-8(13)9(10,11)12/h7-8,13H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-7-methyloctan-2-ol?
(2R)-1,1,1-trifluoro-7-methyloctan-2-ol has a molecular weight of 198.23 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-7-methyloctan-2-ol is sourced from PubChem (CID 18396357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).