(2S,3S)-2,3-difluorohexan-1-ol

C6H12F2O — CID 57045572

IUPAC(2S,3S)-2,3-difluorohexan-1-ol
SMILESCCC[C@H](F)[C@@H](F)CO
InChIInChI=1S/C6H12F2O/c1-2-3-5(7)6(8)4-9/h5-6,9H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyNRSQWJSVOPTOBH-WDSKDSINSA-N
MW138.16 g/mol
LogP1.46
Rot. Bonds4

About (2S,3S)-2,3-difluorohexan-1-ol

(2S,3S)-2,3-difluorohexan-1-ol (PubChem CID 57045572) has the molecular formula C6H12F2O and a molecular weight of 138.16 g/mol. Its IUPAC name is (2S,3S)-2,3-difluorohexan-1-ol.

Molecular Properties

Compound Name(2S,3S)-2,3-difluorohexan-1-ol
PubChem CID57045572
Molecular FormulaC6H12F2O
Molecular Weight138.16 g/mol
Exact Mass138.09
IUPAC Name(2S,3S)-2,3-difluorohexan-1-ol
SMILESCCC[C@H](F)[C@@H](F)CO
InChIInChI=1S/C6H12F2O/c1-2-3-5(7)6(8)4-9/h5-6,9H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyNRSQWJSVOPTOBH-WDSKDSINSA-N
XLogP1.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluorohexane-1,2-diol
CID 14685331
(2S,3R)-2-fluoro-3-methylheptan-1-ol
CID 130653054
(4R)-4-fluoro-2-propylpentan-1-ol
CID 176624493
1,1-difluorobutane;ethane
CID 164925096
2-amino-3-fluorohexanoic acid
CID 2737444
ethanol;fluoroform
CID 174919581
2-(pentafluoro-λ6-sulfanyl)pentan-1-ol
CID 25263552
2-fluoro-3-(hydroxymethyl)pentane-1,5-diol
CID 19812553
(2S)-2-bromopentan-1-ol
CID 101373163
2-(2-fluoropropan-2-yl)pentan-1-ol
CID 84763082
2-fluoroundecan-1-ol
CID 15918974
2-fluorotridecan-1-ol
CID 54139332

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-difluorohexan-1-ol?
The IUPAC name of (2S,3S)-2,3-difluorohexan-1-ol (CID 57045572) is (2S,3S)-2,3-difluorohexan-1-ol.
What is the SMILES notation for (2S,3S)-2,3-difluorohexan-1-ol?
The canonical SMILES for (2S,3S)-2,3-difluorohexan-1-ol is CCC[C@H](F)[C@@H](F)CO.
What is the InChIKey of (2S,3S)-2,3-difluorohexan-1-ol?
The InChIKey is NRSQWJSVOPTOBH-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12F2O/c1-2-3-5(7)6(8)4-9/h5-6,9H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-2,3-difluorohexan-1-ol?
(2S,3S)-2,3-difluorohexan-1-ol has a molecular weight of 138.16 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-difluorohexan-1-ol is sourced from PubChem (CID 57045572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).