3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride

C9H12Cl2FNO — CID 170874594

IUPAC3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride
SMILESCl.NC(CCO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H11ClFNO.ClH/c10-7-2-1-6(5-8(7)11)9(12)3-4-13;/h1-2,5,9,13H,3-4,12H2;1H
InChIKeyYZMREOKVXUFJCR-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.28
Rot. Bonds3

About 3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride

3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride (PubChem CID 170874594) has the molecular formula C9H12Cl2FNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride
PubChem CID170874594
Molecular FormulaC9H12Cl2FNO
Molecular Weight240.10 g/mol
Exact Mass239.03
IUPAC Name3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride
SMILESCl.NC(CCO)c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H11ClFNO.ClH/c10-7-2-1-6(5-8(7)11)9(12)3-4-13;/h1-2,5,9,13H,3-4,12H2;1H
InChIKeyYZMREOKVXUFJCR-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(4S)-4-amino-4-(3-chloro-4-fluorophenyl)butan-1-ol
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(1R)-1-(4-chloro-3-fluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride (CID 170874594) is 3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride is Cl.NC(CCO)c1ccc(Cl)c(F)c1.
What is the InChIKey of 3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride?
The InChIKey is YZMREOKVXUFJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO.ClH/c10-7-2-1-6(5-8(7)11)9(12)3-4-13;/h1-2,5,9,13H,3-4,12H2;1H.
What are the key properties of 3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride?
3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride has a molecular weight of 240.10 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170874594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).