1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine

C10H9ClF3N — CID 117116150

IUPAC1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2cc(F)c(F)c(Cl)c2F)CC1
InChIInChI=1S/C10H9ClF3N/c11-7-8(13)5(3-6(12)9(7)14)4-10(15)1-2-10/h3H,1-2,4,15H2
InChIKeyQSBTWCQSLPXIBC-UHFFFAOYSA-N
MW235.64 g/mol
LogP2.79
Rot. Bonds2

About 1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine

1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine (PubChem CID 117116150) has the molecular formula C10H9ClF3N and a molecular weight of 235.64 g/mol. Its IUPAC name is 1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine
PubChem CID117116150
Molecular FormulaC10H9ClF3N
Molecular Weight235.64 g/mol
Exact Mass235.04
IUPAC Name1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2cc(F)c(F)c(Cl)c2F)CC1
InChIInChI=1S/C10H9ClF3N/c11-7-8(13)5(3-6(12)9(7)14)4-10(15)1-2-10/h3H,1-2,4,15H2
InChIKeyQSBTWCQSLPXIBC-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine (CID 117116150) is 1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine is NC1(Cc2cc(F)c(F)c(Cl)c2F)CC1.
What is the InChIKey of 1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine?
The InChIKey is QSBTWCQSLPXIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N/c11-7-8(13)5(3-6(12)9(7)14)4-10(15)1-2-10/h3H,1-2,4,15H2.
What are the key properties of 1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine?
1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine has a molecular weight of 235.64 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117116150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).