N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine

C15H12ClF3N2 — CID 166628706

IUPACN-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NC/C=C/c2ccc(Cl)cc2)ccn1
InChIInChI=1S/C15H12ClF3N2/c16-12-5-3-11(4-6-12)2-1-8-20-13-7-9-21-14(10-13)15(17,18)19/h1-7,9-10H,8H2,(H,20,21)/b2-1+
InChIKeyCTVZJRWLKBMZQF-OWOJBTEDSA-N
MW312.72 g/mol
LogP4.88
Rot. Bonds4

About N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine

N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 166628706) has the molecular formula C15H12ClF3N2 and a molecular weight of 312.72 g/mol. Its IUPAC name is N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine
PubChem CID166628706
Molecular FormulaC15H12ClF3N2
Molecular Weight312.72 g/mol
Exact Mass312.06
IUPAC NameN-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine
SMILESFC(F)(F)c1cc(NC/C=C/c2ccc(Cl)cc2)ccn1
InChIInChI=1S/C15H12ClF3N2/c16-12-5-3-11(4-6-12)2-1-8-20-13-7-9-21-14(10-13)15(17,18)19/h1-7,9-10H,8H2,(H,20,21)/b2-1+
InChIKeyCTVZJRWLKBMZQF-OWOJBTEDSA-N
XLogP4.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine (CID 166628706) is N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine is FC(F)(F)c1cc(NC/C=C/c2ccc(Cl)cc2)ccn1.
What is the InChIKey of N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is CTVZJRWLKBMZQF-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H12ClF3N2/c16-12-5-3-11(4-6-12)2-1-8-20-13-7-9-21-14(10-13)15(17,18)19/h1-7,9-10H,8H2,(H,20,21)/b2-1+.
What are the key properties of N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine?
N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 312.72 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 166628706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).