(1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine

C9H9ClFN — CID 55278214

IUPAC(1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H9ClFN/c1-2-9(12)6-3-4-8(11)7(10)5-6/h2-5,9H,1,12H2/t9-/m1/s1
InChIKeyAMSKWGJMZAOELZ-SECBINFHSA-N
MW185.63 g/mol
LogP2.66
Rot. Bonds2

About (1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine

(1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine (PubChem CID 55278214) has the molecular formula C9H9ClFN and a molecular weight of 185.63 g/mol. Its IUPAC name is (1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine
PubChem CID55278214
Molecular FormulaC9H9ClFN
Molecular Weight185.63 g/mol
Exact Mass185.04
IUPAC Name(1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H9ClFN/c1-2-9(12)6-3-4-8(11)7(10)5-6/h2-5,9H,1,12H2/t9-/m1/s1
InChIKeyAMSKWGJMZAOELZ-SECBINFHSA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.63
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine
CID 55271412
(1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171210030
1-(4-chlorophenyl)prop-2-en-1-amine
CID 12987192
4-[(1R)-1-aminoprop-2-enyl]-2-chlorophenol;hydrochloride
CID 171202442
4-[(1S)-1-aminoprop-2-enyl]-2-chlorophenol;hydrochloride
CID 171221995
(1S)-1-(4-bromo-3-fluorophenyl)prop-2-en-1-amine
CID 130641131
1-(4-bromo-3-fluorophenyl)prop-2-en-1-amine
CID 112693549
(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 131272107
(1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
CID 171205858
(1R)-1-(5-chloro-6-fluoro-3-pyridinyl)prop-2-en-1-amine
CID 130642219
(1R)-1-[4-(difluoromethyl)-3-fluorophenyl]prop-2-en-1-amine;hydrochloride
CID 162344451
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine (CID 55278214) is (1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine is C=C[C@@H](N)c1ccc(F)c(Cl)c1.
What is the InChIKey of (1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine?
The InChIKey is AMSKWGJMZAOELZ-SECBINFHSA-N. The full InChI is InChI=1S/C9H9ClFN/c1-2-9(12)6-3-4-8(11)7(10)5-6/h2-5,9H,1,12H2/t9-/m1/s1.
What are the key properties of (1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine?
(1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine has a molecular weight of 185.63 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-4-fluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 55278214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).