3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol

C9H10ClF2NO — CID 84788316

IUPAC3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol
SMILESNCCC(O)c1cc(Cl)cc(F)c1F
InChIInChI=1S/C9H10ClF2NO/c10-5-3-6(8(14)1-2-13)9(12)7(11)4-5/h3-4,8,14H,1-2,13H2
InChIKeyWPJOCEHEQDEJAM-UHFFFAOYSA-N
MW221.63 g/mol
LogP2.00
Rot. Bonds3

About 3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol

3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol (PubChem CID 84788316) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is 3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol
PubChem CID84788316
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol
SMILESNCCC(O)c1cc(Cl)cc(F)c1F
InChIInChI=1S/C9H10ClF2NO/c10-5-3-6(8(14)1-2-13)9(12)7(11)4-5/h3-4,8,14H,1-2,13H2
InChIKeyWPJOCEHEQDEJAM-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_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 64989517
(1R)-3-amino-1-(2,5-difluorophenyl)propan-1-ol
CID 93182256
3-amino-1-(3-chloro-2-fluorophenyl)propan-1-ol
CID 81262700
3-amino-1-(2-amino-4-chlorophenyl)propan-1-ol
CID 105453264
1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol
CID 167001188
2-amino-2-(5-chloro-2,3-difluorophenyl)acetic acid
CID 84788280
(1S)-3-amino-1-(3-chloro-4-fluorophenyl)propan-1-ol
CID 96845808
2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol
CID 18627999
3-(5-chloro-2-fluoro-3-methylphenyl)butan-1-amine
CID 84784490
3-amino-1-(2-amino-5-chloro-3-fluorophenyl)propane-1,2-diol
CID 170828108
4-(3-amino-1-hydroxypropyl)-6-bromo-2-fluorobenzene-1,3-diol
CID 84811684
1-(5-chloro-2-fluorophenyl)-3-iodopropan-1-ol
CID 90206971

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol (CID 84788316) is 3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol is NCCC(O)c1cc(Cl)cc(F)c1F.
What is the InChIKey of 3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol?
The InChIKey is WPJOCEHEQDEJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO/c10-5-3-6(8(14)1-2-13)9(12)7(11)4-5/h3-4,8,14H,1-2,13H2.
What are the key properties of 3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol?
3-amino-1-(5-chloro-2,3-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-1-(5-chloro-2,3-difluorophenyl)propan-1-ol is sourced from PubChem (CID 84788316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).