[2-(1-amino-2,2-difluoroethyl)-5-chlorophenyl]methanol

C9H10ClF2NO — CID 142148919

IUPAC[2-(1-amino-2,2-difluoroethyl)-5-chlorophenyl]methanol
SMILESNC(c1ccc(Cl)cc1CO)C(F)F
InChIInChI=1S/C9H10ClF2NO/c10-6-1-2-7(5(3-6)4-14)8(13)9(11)12/h1-3,8-9,14H,4,13H2
InChIKeyWFCNGWHWIZXBSG-UHFFFAOYSA-N
MW221.63 g/mol
LogP2.10
Rot. Bonds3

About [2-(1-amino-2,2-difluoroethyl)-5-chlorophenyl]methanol

[2-(1-amino-2,2-difluoroethyl)-5-chlorophenyl]methanol (PubChem CID 142148919) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is [2-(1-amino-2,2-difluoroethyl)-5-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-(1-amino-2,2-difluoroethyl)-5-chlorophenyl]methanol
PubChem CID142148919
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name[2-(1-amino-2,2-difluoroethyl)-5-chlorophenyl]methanol
SMILESNC(c1ccc(Cl)cc1CO)C(F)F
InChIInChI=1S/C9H10ClF2NO/c10-6-1-2-7(5(3-6)4-14)8(13)9(11)12/h1-3,8-9,14H,4,13H2
InChIKeyWFCNGWHWIZXBSG-UHFFFAOYSA-N
XLogP2.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.63
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-chloro-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol
CID 141261609
(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131543112
4-chloro-1-[4-chloro-2-(hydroxymethyl)phenyl]butane-1,2-diol
CID 171893685
4-bromo-1-[4-chloro-2-(hydroxymethyl)phenyl]butane-1,2-diol
CID 171891894
6-[(1R)-1-amino-2,2-difluoroethyl]-2-chloro-3-fluorophenol
CID 130812665
[2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol
CID 130731463
(1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine
CID 28973274
(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171161283
2-(4-chloro-2-fluorophenyl)-2-fluoroethanamine
CID 112562799
[5-chloro-2-(trifluoromethyl)phenyl]methanol
CID 2778112
(5-chloro-2-methylsulfanylphenyl)methanol
CID 83802070
(1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 121438908

Frequently Asked Questions

What is the IUPAC name of [2-(1-amino-2,2-difluoroethyl)-5-chlorophenyl]methanol?
The IUPAC name of [2-(1-amino-2,2-difluoroethyl)-5-chlorophenyl]methanol (CID 142148919) is [2-(1-amino-2,2-difluoroethyl)-5-chlorophenyl]methanol.
What is the SMILES notation for [2-(1-amino-2,2-difluoroethyl)-5-chlorophenyl]methanol?
The canonical SMILES for [2-(1-amino-2,2-difluoroethyl)-5-chlorophenyl]methanol is NC(c1ccc(Cl)cc1CO)C(F)F.
What is the InChIKey of [2-(1-amino-2,2-difluoroethyl)-5-chlorophenyl]methanol?
The InChIKey is WFCNGWHWIZXBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO/c10-6-1-2-7(5(3-6)4-14)8(13)9(11)12/h1-3,8-9,14H,4,13H2.
What are the key properties of [2-(1-amino-2,2-difluoroethyl)-5-chlorophenyl]methanol?
[2-(1-amino-2,2-difluoroethyl)-5-chlorophenyl]methanol has a molecular weight of 221.63 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-amino-2,2-difluoroethyl)-5-chlorophenyl]methanol is sourced from PubChem (CID 142148919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).