[3-(difluoromethyl)phenyl]methanediol

C8H8F2O2 — CID 162564421

IUPAC[3-(difluoromethyl)phenyl]methanediol
SMILESOC(O)c1cccc(C(F)F)c1
InChIInChI=1S/C8H8F2O2/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,7-8,11-12H
InChIKeyGDHCHLIRUMLXIZ-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.61
Rot. Bonds2

About [3-(difluoromethyl)phenyl]methanediol

[3-(difluoromethyl)phenyl]methanediol (PubChem CID 162564421) has the molecular formula C8H8F2O2 and a molecular weight of 174.15 g/mol. Its IUPAC name is [3-(difluoromethyl)phenyl]methanediol.

Molecular Properties

Compound Name[3-(difluoromethyl)phenyl]methanediol
PubChem CID162564421
Molecular FormulaC8H8F2O2
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name[3-(difluoromethyl)phenyl]methanediol
SMILESOC(O)c1cccc(C(F)F)c1
InChIInChI=1S/C8H8F2O2/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,7-8,11-12H
InChIKeyGDHCHLIRUMLXIZ-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol
CID 115527641
1-[3-(difluoromethyl)phenyl]-2-methylprop-2-en-1-ol
CID 115527715
1-[3-(difluoromethyl)phenyl]-2-phenylethanol
CID 115527640
[3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol
CID 115527711
1-[3-(difluoromethyl)phenyl]but-3-en-1-ol
CID 115527625
2-[3-(difluoromethyl)phenyl]propanoic acid
CID 84669259
(2R)-2-amino-2-[3-(difluoromethyl)phenyl]ethanol
CID 66514168
2-amino-1-[3-(difluoromethyl)phenyl]butan-1-ol
CID 115527154
1-[3-(difluoromethyl)phenyl]propan-2-ol
CID 117280458
(3-chlorophenyl)methanediol
CID 20679602
1-(difluoromethyl)-3-iodobenzene
CID 46311736
1-[3-(difluoromethyl)phenyl]-2-(4-iodophenyl)ethanol
CID 115527785

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)phenyl]methanediol?
The IUPAC name of [3-(difluoromethyl)phenyl]methanediol (CID 162564421) is [3-(difluoromethyl)phenyl]methanediol.
What is the SMILES notation for [3-(difluoromethyl)phenyl]methanediol?
The canonical SMILES for [3-(difluoromethyl)phenyl]methanediol is OC(O)c1cccc(C(F)F)c1.
What is the InChIKey of [3-(difluoromethyl)phenyl]methanediol?
The InChIKey is GDHCHLIRUMLXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O2/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,7-8,11-12H.
What are the key properties of [3-(difluoromethyl)phenyl]methanediol?
[3-(difluoromethyl)phenyl]methanediol has a molecular weight of 174.15 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)phenyl]methanediol is sourced from PubChem (CID 162564421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).