1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol

C9H11ClFNO — CID 112653165

IUPAC1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
SMILESNCC(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C9H11ClFNO/c10-9-6(4-7(13)5-12)2-1-3-8(9)11/h1-3,7,13H,4-5,12H2
InChIKeyVBCQEPMWHOPPHU-UHFFFAOYSA-N
MW203.64 g/mol
LogP1.34
Rot. Bonds3

About 1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol

1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol (PubChem CID 112653165) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
PubChem CID112653165
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
SMILESNCC(O)Cc1cccc(F)c1Cl
InChIInChI=1S/C9H11ClFNO/c10-9-6(4-7(13)5-12)2-1-3-8(9)11/h1-3,7,13H,4-5,12H2
InChIKeyVBCQEPMWHOPPHU-UHFFFAOYSA-N
XLogP1.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(2-fluorophenyl)propan-2-ol
CID 64982726
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
CID 112653439
1-(2-chloro-3-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 115831221
2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 115984177
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
1-(2-chloro-3-fluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547608
1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 115983590
1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol
CID 112653497
2-(2-chloro-3-fluorophenyl)-1-(4-chlorophenyl)ethanol
CID 112652994
1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 115831211
1-(2-chloro-3-fluorophenyl)-5-methoxypentan-2-ol
CID 112653463
1-(2-chloro-3-fluorophenyl)-4-(diethylamino)butan-2-ol
CID 112653492

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol?
The IUPAC name of 1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol (CID 112653165) is 1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol is NCC(O)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol?
The InChIKey is VBCQEPMWHOPPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c10-9-6(4-7(13)5-12)2-1-3-8(9)11/h1-3,7,13H,4-5,12H2.
What are the key properties of 1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol?
1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol has a molecular weight of 203.64 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol is sourced from PubChem (CID 112653165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).