N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine

C10H12ClF3N2 — CID 84729053

IUPACN'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine
SMILESNCC(CNc1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C10H12ClF3N2/c11-8-1-3-9(4-2-8)16-6-7(5-15)10(12,13)14/h1-4,7,16H,5-6,15H2
InChIKeyGDAUOHGMNNQZOJ-UHFFFAOYSA-N
MW252.67 g/mol
LogP2.89
Rot. Bonds4

About N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine

N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine (PubChem CID 84729053) has the molecular formula C10H12ClF3N2 and a molecular weight of 252.67 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine
PubChem CID84729053
Molecular FormulaC10H12ClF3N2
Molecular Weight252.67 g/mol
Exact Mass252.06
IUPAC NameN'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine
SMILESNCC(CNc1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C10H12ClF3N2/c11-8-1-3-9(4-2-8)16-6-7(5-15)10(12,13)14/h1-4,7,16H,5-6,15H2
InChIKeyGDAUOHGMNNQZOJ-UHFFFAOYSA-N
XLogP2.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine?
The IUPAC name of N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine (CID 84729053) is N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine is NCC(CNc1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine?
The InChIKey is GDAUOHGMNNQZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2/c11-8-1-3-9(4-2-8)16-6-7(5-15)10(12,13)14/h1-4,7,16H,5-6,15H2.
What are the key properties of N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine?
N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine has a molecular weight of 252.67 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine is sourced from PubChem (CID 84729053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).