(2S)-2-fluoro-2-methylhexan-1-ol

C7H15FO — CID 54154851

IUPAC(2S)-2-fluoro-2-methylhexan-1-ol
SMILESCCCC[C@](C)(F)CO
InChIInChI=1S/C7H15FO/c1-3-4-5-7(2,8)6-9/h9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyOKHRYHIXUNLSPK-ZETCQYMHSA-N
MW134.19 g/mol
LogP1.90
Rot. Bonds4

About (2S)-2-fluoro-2-methylhexan-1-ol

(2S)-2-fluoro-2-methylhexan-1-ol (PubChem CID 54154851) has the molecular formula C7H15FO and a molecular weight of 134.19 g/mol. Its IUPAC name is (2S)-2-fluoro-2-methylhexan-1-ol.

Molecular Properties

Compound Name(2S)-2-fluoro-2-methylhexan-1-ol
PubChem CID54154851
Molecular FormulaC7H15FO
Molecular Weight134.19 g/mol
Exact Mass134.11
IUPAC Name(2S)-2-fluoro-2-methylhexan-1-ol
SMILESCCCC[C@](C)(F)CO
InChIInChI=1S/C7H15FO/c1-3-4-5-7(2,8)6-9/h9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyOKHRYHIXUNLSPK-ZETCQYMHSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-2-methylhexan-1-ol?
The IUPAC name of (2S)-2-fluoro-2-methylhexan-1-ol (CID 54154851) is (2S)-2-fluoro-2-methylhexan-1-ol.
What is the SMILES notation for (2S)-2-fluoro-2-methylhexan-1-ol?
The canonical SMILES for (2S)-2-fluoro-2-methylhexan-1-ol is CCCC[C@](C)(F)CO.
What is the InChIKey of (2S)-2-fluoro-2-methylhexan-1-ol?
The InChIKey is OKHRYHIXUNLSPK-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15FO/c1-3-4-5-7(2,8)6-9/h9H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-fluoro-2-methylhexan-1-ol?
(2S)-2-fluoro-2-methylhexan-1-ol has a molecular weight of 134.19 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-2-methylhexan-1-ol is sourced from PubChem (CID 54154851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).