2-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)benzotriazol-5-amine

C14H10ClF3N4 — CID 163367315

IUPAC2-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)benzotriazol-5-amine
SMILESFC(F)(F)CNc1ccc2nn(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C14H10ClF3N4/c15-9-1-4-11(5-2-9)22-20-12-6-3-10(7-13(12)21-22)19-8-14(16,17)18/h1-7,19H,8H2
InChIKeyDTSLRFUJFAPPFF-UHFFFAOYSA-N
MW326.71 g/mol
LogP4.05
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)benzotriazol-5-amine

2-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)benzotriazol-5-amine (PubChem CID 163367315) has the molecular formula C14H10ClF3N4 and a molecular weight of 326.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)benzotriazol-5-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)benzotriazol-5-amine
PubChem CID163367315
Molecular FormulaC14H10ClF3N4
Molecular Weight326.71 g/mol
Exact Mass326.05
IUPAC Name2-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)benzotriazol-5-amine
SMILESFC(F)(F)CNc1ccc2nn(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C14H10ClF3N4/c15-9-1-4-11(5-2-9)22-20-12-6-3-10(7-13(12)21-22)19-8-14(16,17)18/h1-7,19H,8H2
InChIKeyDTSLRFUJFAPPFF-UHFFFAOYSA-N
XLogP4.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.71
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)benzotriazol-5-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)benzotriazol-5-amine (CID 163367315) is 2-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)benzotriazol-5-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)benzotriazol-5-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)benzotriazol-5-amine is FC(F)(F)CNc1ccc2nn(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)benzotriazol-5-amine?
The InChIKey is DTSLRFUJFAPPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N4/c15-9-1-4-11(5-2-9)22-20-12-6-3-10(7-13(12)21-22)19-8-14(16,17)18/h1-7,19H,8H2.
What are the key properties of 2-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)benzotriazol-5-amine?
2-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)benzotriazol-5-amine has a molecular weight of 326.71 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)benzotriazol-5-amine is sourced from PubChem (CID 163367315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).