1-(3,4-difluorophenyl)ethane-1,2-diol

C8H8F2O2 — CID 71469386

IUPAC1-(3,4-difluorophenyl)ethane-1,2-diol
SMILESOCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C8H8F2O2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8,11-12H,4H2
InChIKeyVTLXXTRFQRTJKK-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.99
Rot. Bonds2

About 1-(3,4-difluorophenyl)ethane-1,2-diol

1-(3,4-difluorophenyl)ethane-1,2-diol (PubChem CID 71469386) has the molecular formula C8H8F2O2 and a molecular weight of 174.15 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)ethane-1,2-diol
PubChem CID71469386
Molecular FormulaC8H8F2O2
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name1-(3,4-difluorophenyl)ethane-1,2-diol
SMILESOCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C8H8F2O2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8,11-12H,4H2
InChIKeyVTLXXTRFQRTJKK-UHFFFAOYSA-N
XLogP0.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol
CID 97286939
1-(3-bromo-4-fluorophenyl)ethane-1,2-diol
CID 70906663
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
4-amino-1-(3,4-difluorophenyl)butan-1-ol
CID 82048635
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 82217071
2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 82217067
2-(3,4-difluorophenyl)-2-(dimethylamino)ethanol
CID 54776114
difluoromethane;ethane;1-[4-fluoro-3-(methylaminomethyl)phenyl]ethane-1,2-diol
CID 145244610
2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60898138
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 60797621

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)ethane-1,2-diol?
The IUPAC name of 1-(3,4-difluorophenyl)ethane-1,2-diol (CID 71469386) is 1-(3,4-difluorophenyl)ethane-1,2-diol.
What is the SMILES notation for 1-(3,4-difluorophenyl)ethane-1,2-diol?
The canonical SMILES for 1-(3,4-difluorophenyl)ethane-1,2-diol is OCC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)ethane-1,2-diol?
The InChIKey is VTLXXTRFQRTJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8,11-12H,4H2.
What are the key properties of 1-(3,4-difluorophenyl)ethane-1,2-diol?
1-(3,4-difluorophenyl)ethane-1,2-diol has a molecular weight of 174.15 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)ethane-1,2-diol is sourced from PubChem (CID 71469386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).