[3-(2,2-difluoroethylamino)phenyl]methanol

C9H11F2NO — CID 130693904

IUPAC[3-(2,2-difluoroethylamino)phenyl]methanol
SMILESOCc1cccc(NCC(F)F)c1
InChIInChI=1S/C9H11F2NO/c10-9(11)5-12-8-3-1-2-7(4-8)6-13/h1-4,9,12-13H,5-6H2
InChIKeyLTBXBVQGFXUVEZ-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.86
Rot. Bonds4

About [3-(2,2-difluoroethylamino)phenyl]methanol

[3-(2,2-difluoroethylamino)phenyl]methanol (PubChem CID 130693904) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is [3-(2,2-difluoroethylamino)phenyl]methanol.

Molecular Properties

Compound Name[3-(2,2-difluoroethylamino)phenyl]methanol
PubChem CID130693904
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name[3-(2,2-difluoroethylamino)phenyl]methanol
SMILESOCc1cccc(NCC(F)F)c1
InChIInChI=1S/C9H11F2NO/c10-9(11)5-12-8-3-1-2-7(4-8)6-13/h1-4,9,12-13H,5-6H2
InChIKeyLTBXBVQGFXUVEZ-UHFFFAOYSA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3-(2,2-difluoroethylamino)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(chloromethyl)-N-(2,2-difluoroethyl)aniline
CID 65023628
1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol
CID 168636282
[3-(2-ethylbutylamino)phenyl]methanol
CID 43715042
N-(2,2-difluoroethyl)-3-fluoroaniline
CID 60922269
[3-[(3-methyl-2-phenylbutyl)amino]phenyl]methanol
CID 107875961
2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol
CID 79891427
[3-(2,2-dimethylpropylamino)phenyl]methanol
CID 20785829
4-[[3-(hydroxymethyl)anilino]methyl]benzene-1,2-diol
CID 43715040
3-[[3-(hydroxymethyl)anilino]methyl]benzene-1,2-diol
CID 61319500
3-(2,2-difluoroethylamino)benzonitrile
CID 60922387
[3-(3-methylbut-2-enylamino)phenyl]methanol
CID 131065051
4-[3-(hydroxymethyl)anilino]butane-1-sulfonic acid
CID 175277279

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoroethylamino)phenyl]methanol?
The IUPAC name of [3-(2,2-difluoroethylamino)phenyl]methanol (CID 130693904) is [3-(2,2-difluoroethylamino)phenyl]methanol.
What is the SMILES notation for [3-(2,2-difluoroethylamino)phenyl]methanol?
The canonical SMILES for [3-(2,2-difluoroethylamino)phenyl]methanol is OCc1cccc(NCC(F)F)c1.
What is the InChIKey of [3-(2,2-difluoroethylamino)phenyl]methanol?
The InChIKey is LTBXBVQGFXUVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c10-9(11)5-12-8-3-1-2-7(4-8)6-13/h1-4,9,12-13H,5-6H2.
What are the key properties of [3-(2,2-difluoroethylamino)phenyl]methanol?
[3-(2,2-difluoroethylamino)phenyl]methanol has a molecular weight of 187.19 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoroethylamino)phenyl]methanol is sourced from PubChem (CID 130693904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).