(3,5-difluorophenyl)methanediol

C7H6F2O2 — CID 142893041

IUPAC(3,5-difluorophenyl)methanediol
SMILESOC(O)c1cc(F)cc(F)c1
InChIInChI=1S/C7H6F2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,7,10-11H
InChIKeyNRHIDOUAZZEZPV-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.95
Rot. Bonds1

About (3,5-difluorophenyl)methanediol

(3,5-difluorophenyl)methanediol (PubChem CID 142893041) has the molecular formula C7H6F2O2 and a molecular weight of 160.12 g/mol. Its IUPAC name is (3,5-difluorophenyl)methanediol.

Molecular Properties

Compound Name(3,5-difluorophenyl)methanediol
PubChem CID142893041
Molecular FormulaC7H6F2O2
Molecular Weight160.12 g/mol
Exact Mass160.03
IUPAC Name(3,5-difluorophenyl)methanediol
SMILESOC(O)c1cc(F)cc(F)c1
InChIInChI=1S/C7H6F2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,7,10-11H
InChIKeyNRHIDOUAZZEZPV-UHFFFAOYSA-N
XLogP0.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.95
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

(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl chloride
CID 93494359
1-(3,5-difluorophenyl)propane-1,2,3-triol
CID 170817451
(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride
CID 70033662
(1R,2R)-1,2-bis(3,5-difluorophenyl)ethane-1,2-diamine
CID 58298555
(1R)-3-chloro-1-(3,5-difluorophenyl)propan-1-ol
CID 146430638
3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol
CID 65189287
1-(3,5-difluorophenyl)-2-methoxyethanol
CID 62791322
(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
CID 55278901
1-(3,5-difluorophenyl)hexan-1-ol
CID 62608438
(3,5-difluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 64990191
1-(3,5-difluorophenyl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 79046201
(4-bromo-2,6-difluorophenyl)-(3,5-difluorophenyl)methanol
CID 115793233

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)methanediol?
The IUPAC name of (3,5-difluorophenyl)methanediol (CID 142893041) is (3,5-difluorophenyl)methanediol.
What is the SMILES notation for (3,5-difluorophenyl)methanediol?
The canonical SMILES for (3,5-difluorophenyl)methanediol is OC(O)c1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenyl)methanediol?
The InChIKey is NRHIDOUAZZEZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,7,10-11H.
What are the key properties of (3,5-difluorophenyl)methanediol?
(3,5-difluorophenyl)methanediol has a molecular weight of 160.12 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)methanediol is sourced from PubChem (CID 142893041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).