1-(5-chloro-2-fluorophenyl)prop-2-yn-1-amine

C9H7ClFN — CID 114885910

IUPAC1-(5-chloro-2-fluorophenyl)prop-2-yn-1-amine
SMILESC#CC(N)c1cc(Cl)ccc1F
InChIInChI=1S/C9H7ClFN/c1-2-9(12)7-5-6(10)3-4-8(7)11/h1,3-5,9H,12H2
InChIKeyXCGXDQNUUISORA-UHFFFAOYSA-N
MW183.61 g/mol
LogP2.11
Rot. Bonds1

About 1-(5-chloro-2-fluorophenyl)prop-2-yn-1-amine

1-(5-chloro-2-fluorophenyl)prop-2-yn-1-amine (PubChem CID 114885910) has the molecular formula C9H7ClFN and a molecular weight of 183.61 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)prop-2-yn-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)prop-2-yn-1-amine
PubChem CID114885910
Molecular FormulaC9H7ClFN
Molecular Weight183.61 g/mol
Exact Mass183.03
IUPAC Name1-(5-chloro-2-fluorophenyl)prop-2-yn-1-amine
SMILESC#CC(N)c1cc(Cl)ccc1F
InChIInChI=1S/C9H7ClFN/c1-2-9(12)7-5-6(10)3-4-8(7)11/h1,3-5,9H,12H2
InChIKeyXCGXDQNUUISORA-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.61
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(4-chloro-2-fluorophenyl)prop-2-yn-1-amine
CID 97000239
(2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile
CID 130634473
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(1S)-1-(2-chlorophenyl)prop-2-yn-1-amine
CID 97000228
(1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130700654
1-(2-bromo-4,5-difluorophenyl)prop-2-yn-1-amine
CID 130543156
(1S)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropan-1-amine
CID 131514885
1-(5-chloro-2-fluorophenyl)butane-1,4-diamine
CID 116933749
1-(2-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
CID 81304813
(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344673
(1R,2S)-1-amino-1-(5-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171261661
(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625242

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)prop-2-yn-1-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)prop-2-yn-1-amine (CID 114885910) is 1-(5-chloro-2-fluorophenyl)prop-2-yn-1-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)prop-2-yn-1-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)prop-2-yn-1-amine is C#CC(N)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)prop-2-yn-1-amine?
The InChIKey is XCGXDQNUUISORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN/c1-2-9(12)7-5-6(10)3-4-8(7)11/h1,3-5,9H,12H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)prop-2-yn-1-amine?
1-(5-chloro-2-fluorophenyl)prop-2-yn-1-amine has a molecular weight of 183.61 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)prop-2-yn-1-amine is sourced from PubChem (CID 114885910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).