(1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride

C9H10Cl2FN — CID 171203034

IUPAC(1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1cccc(F)c1Cl.Cl
InChIInChI=1S/C9H9ClFN.ClH/c1-2-8(12)6-4-3-5-7(11)9(6)10;/h2-5,8H,1,12H2;1H/t8-;/m1./s1
InChIKeyRLZYUQUXYVYJRI-DDWIOCJRSA-N
MW222.09 g/mol
LogP3.09
Rot. Bonds2

About (1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride

(1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride (PubChem CID 171203034) has the molecular formula C9H10Cl2FN and a molecular weight of 222.09 g/mol. Its IUPAC name is (1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride
PubChem CID171203034
Molecular FormulaC9H10Cl2FN
Molecular Weight222.09 g/mol
Exact Mass221.02
IUPAC Name(1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@@H](N)c1cccc(F)c1Cl.Cl
InChIInChI=1S/C9H9ClFN.ClH/c1-2-8(12)6-4-3-5-7(11)9(6)10;/h2-5,8H,1,12H2;1H/t8-;/m1./s1
InChIKeyRLZYUQUXYVYJRI-DDWIOCJRSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride 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

(1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171204130
(1S)-1-(2-chloro-3-fluorophenyl)but-3-en-1-amine
CID 55272952
1-(3-bromo-2-fluorophenyl)prop-2-en-1-amine
CID 103692976
2-[(1R)-1-aminoprop-2-enyl]-6-fluorobenzonitrile
CID 55274364
(1S)-1-(2-chloro-3-fluorophenyl)propane-1,3-diamine
CID 171222588
2-[(1S)-1-aminoprop-2-enyl]-6-chlorophenol
CID 130645432
(2-chloro-3-fluorophenyl)-(4-chlorophenyl)methanamine
CID 81454943
(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 115801340
1-(2-chloro-3-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 105000748
2-[(1R)-1-aminoprop-2-enyl]-6-bromophenol;hydrochloride
CID 171202774
1-(2-chloro-3-fluorophenyl)pent-3-yn-1-amine
CID 115819719
1-(4-fluoro-1H-indol-2-yl)prop-2-en-1-amine
CID 130000362

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride (CID 171203034) is (1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride is C=C[C@@H](N)c1cccc(F)c1Cl.Cl.
What is the InChIKey of (1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride?
The InChIKey is RLZYUQUXYVYJRI-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H9ClFN.ClH/c1-2-8(12)6-4-3-5-7(11)9(6)10;/h2-5,8H,1,12H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride?
(1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride has a molecular weight of 222.09 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chloro-3-fluorophenyl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 171203034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).