1-(2,6-difluorophenyl)butane-2,3-diol

C10H12F2O2 — CID 103452859

IUPAC1-(2,6-difluorophenyl)butane-2,3-diol
SMILESCC(O)C(O)Cc1c(F)cccc1F
InChIInChI=1S/C10H12F2O2/c1-6(13)10(14)5-7-8(11)3-2-4-9(7)12/h2-4,6,10,13-14H,5H2,1H3
InChIKeyMCHUVZXWTQTPQI-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.25
Rot. Bonds3

About 1-(2,6-difluorophenyl)butane-2,3-diol

1-(2,6-difluorophenyl)butane-2,3-diol (PubChem CID 103452859) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)butane-2,3-diol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)butane-2,3-diol
PubChem CID103452859
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name1-(2,6-difluorophenyl)butane-2,3-diol
SMILESCC(O)C(O)Cc1c(F)cccc1F
InChIInChI=1S/C10H12F2O2/c1-6(13)10(14)5-7-8(11)3-2-4-9(7)12/h2-4,6,10,13-14H,5H2,1H3
InChIKeyMCHUVZXWTQTPQI-UHFFFAOYSA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol
CID 114931509
2-(3-chloro-2-methylpropyl)-1,3-difluorobenzene
CID 18989689
2-(3-bromo-2-methylpropyl)-1,3-difluorobenzene
CID 64671779
3-(2,6-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 114931735
3-(2,6-difluorophenyl)-2-methyl-1-phenylpropan-1-ol
CID 114933094
1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine
CID 60942715
1-(2,6-difluorophenyl)but-3-en-2-ol
CID 115814830
1-butan-2-ylsulfanyl-3-(2,6-difluorophenyl)propan-2-ol
CID 114931519
1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798
3-(aminomethyl)-4-(2,6-difluorophenyl)-3-methylbutan-2-ol
CID 114934759
1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol
CID 114930978

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)butane-2,3-diol?
The IUPAC name of 1-(2,6-difluorophenyl)butane-2,3-diol (CID 103452859) is 1-(2,6-difluorophenyl)butane-2,3-diol.
What is the SMILES notation for 1-(2,6-difluorophenyl)butane-2,3-diol?
The canonical SMILES for 1-(2,6-difluorophenyl)butane-2,3-diol is CC(O)C(O)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)butane-2,3-diol?
The InChIKey is MCHUVZXWTQTPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-6(13)10(14)5-7-8(11)3-2-4-9(7)12/h2-4,6,10,13-14H,5H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)butane-2,3-diol?
1-(2,6-difluorophenyl)butane-2,3-diol has a molecular weight of 202.20 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)butane-2,3-diol is sourced from PubChem (CID 103452859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).