2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol

C9H10ClF2NO — CID 84687203

IUPAC2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol
SMILESCC(N)C(O)c1c(F)ccc(Cl)c1F
InChIInChI=1S/C9H10ClF2NO/c1-4(13)9(14)7-6(11)3-2-5(10)8(7)12/h2-4,9,14H,13H2,1H3
InChIKeyQYIYIMGHOANZQL-UHFFFAOYSA-N
MW221.63 g/mol
LogP2.00
Rot. Bonds2

About 2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol

2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol (PubChem CID 84687203) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol
PubChem CID84687203
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol
SMILESCC(N)C(O)c1c(F)ccc(Cl)c1F
InChIInChI=1S/C9H10ClF2NO/c1-4(13)9(14)7-6(11)3-2-5(10)8(7)12/h2-4,9,14H,13H2,1H3
InChIKeyQYIYIMGHOANZQL-UHFFFAOYSA-N
XLogP2.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.63
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine
CID 130707834
3-(2-amino-1-hydroxypropyl)-2,4-difluorophenol
CID 84777095
(1S,2R)-1-amino-1-(3,6-dichloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 131255211
(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol
CID 28743561
(1R)-1-(3-chloro-2,6-difluorophenyl)propan-1-amine
CID 130713439
(1R)-1-(3-chloro-2,6-difluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171208998
(1R,2S)-1-amino-1-(3-chloro-2,6-difluorophenyl)hexan-2-ol;hydrochloride
CID 171263824
(1S,2R)-1-amino-1-(2,6-dichloro-3-fluorophenyl)propan-2-ol
CID 130618254
methyl (2R)-2-amino-2-(3-chloro-2,6-difluorophenyl)acetate;hydrochloride
CID 171228604
1-(6-chloro-2,3-difluorophenyl)ethanamine
CID 130512093
(1R,2S)-2-amino-1-(2,6-dichloro-3-methylphenyl)propan-1-ol
CID 131115673
(1S)-1-(3,6-dichloro-2-fluorophenyl)-2,2-difluoroethanamine
CID 130707442

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol?
The IUPAC name of 2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol (CID 84687203) is 2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol is CC(N)C(O)c1c(F)ccc(Cl)c1F.
What is the InChIKey of 2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol?
The InChIKey is QYIYIMGHOANZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO/c1-4(13)9(14)7-6(11)3-2-5(10)8(7)12/h2-4,9,14H,13H2,1H3.
What are the key properties of 2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol?
2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol has a molecular weight of 221.63 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-2,6-difluorophenyl)propan-1-ol is sourced from PubChem (CID 84687203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).