4-[(2S,3S)-2,3-difluorohexoxy]-2,3-difluorobutan-1-ol

C10H18F4O2 — CID 22844894

IUPAC4-[(2S,3S)-2,3-difluorohexoxy]-2,3-difluorobutan-1-ol
SMILESCCC[C@H](F)[C@@H](F)COCC(F)C(F)CO
InChIInChI=1S/C10H18F4O2/c1-2-3-7(11)9(13)5-16-6-10(14)8(12)4-15/h7-10,15H,2-6H2,1H3/t7-,8?,9-,10?/m0/s1
InChIKeyLMGHEQCLXAAPOI-FMLYDFSMSA-N
MW246.24 g/mol
LogP2.15
Rot. Bonds9

About 4-[(2S,3S)-2,3-difluorohexoxy]-2,3-difluorobutan-1-ol

4-[(2S,3S)-2,3-difluorohexoxy]-2,3-difluorobutan-1-ol (PubChem CID 22844894) has the molecular formula C10H18F4O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-[(2S,3S)-2,3-difluorohexoxy]-2,3-difluorobutan-1-ol.

Molecular Properties

Compound Name4-[(2S,3S)-2,3-difluorohexoxy]-2,3-difluorobutan-1-ol
PubChem CID22844894
Molecular FormulaC10H18F4O2
Molecular Weight246.24 g/mol
Exact Mass246.12
IUPAC Name4-[(2S,3S)-2,3-difluorohexoxy]-2,3-difluorobutan-1-ol
SMILESCCC[C@H](F)[C@@H](F)COCC(F)C(F)CO
InChIInChI=1S/C10H18F4O2/c1-2-3-7(11)9(13)5-16-6-10(14)8(12)4-15/h7-10,15H,2-6H2,1H3/t7-,8?,9-,10?/m0/s1
InChIKeyLMGHEQCLXAAPOI-FMLYDFSMSA-N
XLogP2.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3S)-2,3-difluorohexoxy]-2,3-difluorobutan-1-ol?
The IUPAC name of 4-[(2S,3S)-2,3-difluorohexoxy]-2,3-difluorobutan-1-ol (CID 22844894) is 4-[(2S,3S)-2,3-difluorohexoxy]-2,3-difluorobutan-1-ol.
What is the SMILES notation for 4-[(2S,3S)-2,3-difluorohexoxy]-2,3-difluorobutan-1-ol?
The canonical SMILES for 4-[(2S,3S)-2,3-difluorohexoxy]-2,3-difluorobutan-1-ol is CCC[C@H](F)[C@@H](F)COCC(F)C(F)CO.
What is the InChIKey of 4-[(2S,3S)-2,3-difluorohexoxy]-2,3-difluorobutan-1-ol?
The InChIKey is LMGHEQCLXAAPOI-FMLYDFSMSA-N. The full InChI is InChI=1S/C10H18F4O2/c1-2-3-7(11)9(13)5-16-6-10(14)8(12)4-15/h7-10,15H,2-6H2,1H3/t7-,8?,9-,10?/m0/s1.
What are the key properties of 4-[(2S,3S)-2,3-difluorohexoxy]-2,3-difluorobutan-1-ol?
4-[(2S,3S)-2,3-difluorohexoxy]-2,3-difluorobutan-1-ol has a molecular weight of 246.24 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3S)-2,3-difluorohexoxy]-2,3-difluorobutan-1-ol is sourced from PubChem (CID 22844894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).