(2R)-2-N-[4-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diamine

C10H12ClF3N2 — CID 141427513

IUPAC(2R)-2-N-[4-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESC[C@H](CN)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H12ClF3N2/c1-6(5-15)16-7-2-3-9(11)8(4-7)10(12,13)14/h2-4,6,16H,5,15H2,1H3/t6-/m1/s1
InChIKeyCPMKDPWGPVIVCG-ZCFIWIBFSA-N
MW252.67 g/mol
LogP3.12
Rot. Bonds3

About (2R)-2-N-[4-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diamine

(2R)-2-N-[4-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diamine (PubChem CID 141427513) has the molecular formula C10H12ClF3N2 and a molecular weight of 252.67 g/mol. Its IUPAC name is (2R)-2-N-[4-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[4-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diamine
PubChem CID141427513
Molecular FormulaC10H12ClF3N2
Molecular Weight252.67 g/mol
Exact Mass252.06
IUPAC Name(2R)-2-N-[4-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESC[C@H](CN)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H12ClF3N2/c1-6(5-15)16-7-2-3-9(11)8(4-7)10(12,13)14/h2-4,6,16H,5,15H2,1H3/t6-/m1/s1
InChIKeyCPMKDPWGPVIVCG-ZCFIWIBFSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-N-[4-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diamine 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 (2R)-2-N-[4-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diamine?
The IUPAC name of (2R)-2-N-[4-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diamine (CID 141427513) is (2R)-2-N-[4-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[4-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[4-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diamine is C[C@H](CN)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-N-[4-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diamine?
The InChIKey is CPMKDPWGPVIVCG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12ClF3N2/c1-6(5-15)16-7-2-3-9(11)8(4-7)10(12,13)14/h2-4,6,16H,5,15H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-N-[4-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diamine?
(2R)-2-N-[4-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diamine has a molecular weight of 252.67 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[4-chloro-3-(trifluoromethyl)phenyl]propane-1,2-diamine is sourced from PubChem (CID 141427513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).