3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol

C9H10ClF2NO — CID 84788312

IUPAC3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol
SMILESNC(CCO)c1ccc(F)c(Cl)c1F
InChIInChI=1S/C9H10ClF2NO/c10-8-6(11)2-1-5(9(8)12)7(13)3-4-14/h1-2,7,14H,3-4,13H2
InChIKeyCKGVGGKFZZBGDB-UHFFFAOYSA-N
MW221.63 g/mol
LogP2.00
Rot. Bonds3

About 3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol

3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol (PubChem CID 84788312) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is 3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol
PubChem CID84788312
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol
SMILESNC(CCO)c1ccc(F)c(Cl)c1F
InChIInChI=1S/C9H10ClF2NO/c10-8-6(11)2-1-5(9(8)12)7(13)3-4-14/h1-2,7,14H,3-4,13H2
InChIKeyCKGVGGKFZZBGDB-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol 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-amino-3-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-ol
CID 84697218
1-(3-chloro-2,4-difluorophenyl)butane-1,2,4-triol
CID 171872120
(3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride
CID 171223730
(3S)-3-amino-3-(4-chloro-2-methylphenyl)propan-1-ol
CID 131144923
4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
CID 55270720
(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
CID 126963755
3-amino-3-[2,3-difluoro-4-(trifluoromethyl)phenyl]propan-1-ol
CID 170874623
(3R)-3-amino-3-(2-amino-5-chlorophenyl)propan-1-ol
CID 131144046
3-amino-3-(2,3-dichloro-4-methoxyphenyl)propan-1-ol
CID 116937817
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
(3S)-3-amino-3-(2-chloro-5-fluorophenyl)propan-1-ol;hydrochloride
CID 171224218
3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol
CID 64814499

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol (CID 84788312) is 3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol is NC(CCO)c1ccc(F)c(Cl)c1F.
What is the InChIKey of 3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol?
The InChIKey is CKGVGGKFZZBGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO/c10-8-6(11)2-1-5(9(8)12)7(13)3-4-14/h1-2,7,14H,3-4,13H2.
What are the key properties of 3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol?
3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol has a molecular weight of 221.63 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-chloro-2,4-difluorophenyl)propan-1-ol is sourced from PubChem (CID 84788312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).