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

C9H9ClFN — CID 169463183

IUPAC3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine
SMILESNCC=Cc1cccc(Cl)c1F
InChIInChI=1S/C9H9ClFN/c10-8-5-1-3-7(9(8)11)4-2-6-12/h1-5H,6,12H2
InChIKeyJAWUYDUKJZGPEN-UHFFFAOYSA-N
MW185.63 g/mol
LogP2.45
Rot. Bonds2

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

3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine (PubChem CID 169463183) has the molecular formula C9H9ClFN and a molecular weight of 185.63 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine
PubChem CID169463183
Molecular FormulaC9H9ClFN
Molecular Weight185.63 g/mol
Exact Mass185.04
IUPAC Name3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine
SMILESNCC=Cc1cccc(Cl)c1F
InChIInChI=1S/C9H9ClFN/c10-8-5-1-3-7(9(8)11)4-2-6-12/h1-5H,6,12H2
InChIKeyJAWUYDUKJZGPEN-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-chloro-2-fluorophenyl)but-3-enenitrile
CID 170799235
3-(2,6-dichlorophenyl)prop-2-en-1-amine
CID 76539417
(E)-3-(3-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine
CID 114489355
(E)-3-(4-chloro-3-fluoro-2-methoxyphenyl)prop-2-en-1-amine
CID 117307315
3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine
CID 131272725
(E)-3-(2-chloro-3-methylphenyl)prop-2-en-1-amine
CID 117278991
(E)-3-(3-bromo-2,4-difluorophenyl)prop-2-en-1-amine
CID 117372632
(E)-3-(3-chloro-5-ethyl-2-fluorophenyl)prop-2-en-1-amine
CID 117304732
4-[(3-chloro-2-fluorophenyl)methylidene]cyclohexan-1-amine
CID 102864229
2-(3-aminoprop-1-enyl)aniline
CID 67152713
4-(2-chloro-3-fluorophenyl)but-3-en-1-amine
CID 170486532
4-(2-fluoro-3-methylphenyl)but-3-en-1-amine
CID 170486516

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine (CID 169463183) is 3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine is NCC=Cc1cccc(Cl)c1F.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine?
The InChIKey is JAWUYDUKJZGPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN/c10-8-5-1-3-7(9(8)11)4-2-6-12/h1-5H,6,12H2.
What are the key properties of 3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine?
3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine has a molecular weight of 185.63 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 169463183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).