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

C9H12Cl2FNO — CID 170892601

IUPAC2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1cccc(Cl)c1F
InChIInChI=1S/C9H11ClFNO.ClH/c10-8-3-1-2-6(9(8)11)4-7(12)5-13;/h1-3,7,13H,4-5,12H2;1H
InChIKeyZQQPKCOMXHCHCE-UHFFFAOYSA-N
MW240.10 g/mol
LogP1.76
Rot. Bonds3

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

2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride (PubChem CID 170892601) has the molecular formula C9H12Cl2FNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
PubChem CID170892601
Molecular FormulaC9H12Cl2FNO
Molecular Weight240.10 g/mol
Exact Mass239.03
IUPAC Name2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1cccc(Cl)c1F
InChIInChI=1S/C9H11ClFNO.ClH/c10-8-3-1-2-6(9(8)11)4-7(12)5-13;/h1-3,7,13H,4-5,12H2;1H
InChIKeyZQQPKCOMXHCHCE-UHFFFAOYSA-N
XLogP1.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
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1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine
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1-(3-chloro-2-fluorophenyl)octan-2-amine
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CID 102857603
1-(3-chloro-2-fluorophenyl)-3-ethoxypropan-2-amine
CID 82805550
1-(3-chloro-2-fluorophenyl)dodecan-2-amine
CID 82789502
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
2-amino-3-(2,6-dichlorophenyl)propan-1-ol
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2-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylbutan-1-ol
CID 102863692

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride (CID 170892601) is 2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride is Cl.NC(CO)Cc1cccc(Cl)c1F.
What is the InChIKey of 2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride?
The InChIKey is ZQQPKCOMXHCHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO.ClH/c10-8-3-1-2-6(9(8)11)4-7(12)5-13;/h1-3,7,13H,4-5,12H2;1H.
What are the key properties of 2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride?
2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride has a molecular weight of 240.10 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170892601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).