1-(2-chloro-4,5-difluorophenyl)propan-1-amine

C9H10ClF2N — CID 103693409

IUPAC1-(2-chloro-4,5-difluorophenyl)propan-1-amine
SMILESCCC(N)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C9H10ClF2N/c1-2-9(13)5-3-7(11)8(12)4-6(5)10/h3-4,9H,2,13H2,1H3
InChIKeyYOPNSTWZJXANIS-UHFFFAOYSA-N
MW205.64 g/mol
LogP3.03
Rot. Bonds2

About 1-(2-chloro-4,5-difluorophenyl)propan-1-amine

1-(2-chloro-4,5-difluorophenyl)propan-1-amine (PubChem CID 103693409) has the molecular formula C9H10ClF2N and a molecular weight of 205.64 g/mol. Its IUPAC name is 1-(2-chloro-4,5-difluorophenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4,5-difluorophenyl)propan-1-amine
PubChem CID103693409
Molecular FormulaC9H10ClF2N
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name1-(2-chloro-4,5-difluorophenyl)propan-1-amine
SMILESCCC(N)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C9H10ClF2N/c1-2-9(13)5-3-7(11)8(12)4-6(5)10/h3-4,9H,2,13H2,1H3
InChIKeyYOPNSTWZJXANIS-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 112693699
(1S)-1-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 131118917
1-(2-chloro-4,5-difluorophenyl)-3,3-dimethylbutan-1-amine
CID 103852510
(1S)-1-(2,5-dichlorophenyl)propan-1-amine
CID 26342063
4-[(1S)-1-aminopropyl]-2-chloro-5-fluoroaniline
CID 130783670
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
CID 58878078
1-(2-chloro-4,5-difluorophenyl)-2-(4-fluorophenyl)ethanamine
CID 107476079
5-amino-5-(2-chloro-4,5-difluorophenyl)-3,3-dimethylpentanoic acid
CID 107476711
1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine
CID 107475984
1-(2-chloro-4,5-difluorophenyl)-2-cycloheptylethanamine
CID 107476113
4-[(1R)-1-aminopropyl]-2,5-difluorophenol
CID 55274209
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine
CID 116830356

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-difluorophenyl)propan-1-amine?
The IUPAC name of 1-(2-chloro-4,5-difluorophenyl)propan-1-amine (CID 103693409) is 1-(2-chloro-4,5-difluorophenyl)propan-1-amine.
What is the SMILES notation for 1-(2-chloro-4,5-difluorophenyl)propan-1-amine?
The canonical SMILES for 1-(2-chloro-4,5-difluorophenyl)propan-1-amine is CCC(N)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,5-difluorophenyl)propan-1-amine?
The InChIKey is YOPNSTWZJXANIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N/c1-2-9(13)5-3-7(11)8(12)4-6(5)10/h3-4,9H,2,13H2,1H3.
What are the key properties of 1-(2-chloro-4,5-difluorophenyl)propan-1-amine?
1-(2-chloro-4,5-difluorophenyl)propan-1-amine has a molecular weight of 205.64 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-difluorophenyl)propan-1-amine is sourced from PubChem (CID 103693409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).