1-(3,5-difluorophenyl)hexane-2,3-diol

C12H16F2O2 — CID 103454783

IUPAC1-(3,5-difluorophenyl)hexane-2,3-diol
SMILESCCCC(O)C(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2O2/c1-2-3-11(15)12(16)6-8-4-9(13)7-10(14)5-8/h4-5,7,11-12,15-16H,2-3,6H2,1H3
InChIKeyWWDRZWULKYYSJI-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.03
Rot. Bonds5

About 1-(3,5-difluorophenyl)hexane-2,3-diol

1-(3,5-difluorophenyl)hexane-2,3-diol (PubChem CID 103454783) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)hexane-2,3-diol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)hexane-2,3-diol
PubChem CID103454783
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name1-(3,5-difluorophenyl)hexane-2,3-diol
SMILESCCCC(O)C(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2O2/c1-2-3-11(15)12(16)6-8-4-9(13)7-10(14)5-8/h4-5,7,11-12,15-16H,2-3,6H2,1H3
InChIKeyWWDRZWULKYYSJI-UHFFFAOYSA-N
XLogP2.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-difluorophenyl)methyl]pentan-1-ol
CID 105410780
1-(3,5-difluorophenyl)-2-methylpentan-3-ol
CID 105407726
1-phenylhexane-2,3-diol
CID 68731092
2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol
CID 62800447
1-(3-bromo-5-fluorophenyl)-3-ethylpentan-2-ol
CID 79703019
2-[(3,5-difluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 105408036
1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol
CID 105402534
1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol
CID 130224243
1-(3-fluoro-5-methylphenyl)pentane-1,2-diol
CID 103454916
2-[(3,5-difluorophenyl)methyl]butan-1-ol
CID 105410784
2-bromo-1-(3,5-difluorophenyl)hexan-3-one
CID 62393901
(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)hexane-2,3-diol?
The IUPAC name of 1-(3,5-difluorophenyl)hexane-2,3-diol (CID 103454783) is 1-(3,5-difluorophenyl)hexane-2,3-diol.
What is the SMILES notation for 1-(3,5-difluorophenyl)hexane-2,3-diol?
The canonical SMILES for 1-(3,5-difluorophenyl)hexane-2,3-diol is CCCC(O)C(O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)hexane-2,3-diol?
The InChIKey is WWDRZWULKYYSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-2-3-11(15)12(16)6-8-4-9(13)7-10(14)5-8/h4-5,7,11-12,15-16H,2-3,6H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)hexane-2,3-diol?
1-(3,5-difluorophenyl)hexane-2,3-diol has a molecular weight of 230.25 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)hexane-2,3-diol is sourced from PubChem (CID 103454783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).