2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol

C16H14F3N5O — CID 135372374

IUPAC2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H14F3N5O/c17-16(18,19)11-5-7-12(8-6-11)20-14-4-2-1-3-13(14)15-21-23-24(22-15)9-10-25/h1-8,20,25H,9-10H2
InChIKeyJHRVNVLPOCKDJC-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.09
Rot. Bonds5

About 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol

2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol (PubChem CID 135372374) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
PubChem CID135372374
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC Name2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H14F3N5O/c17-16(18,19)11-5-7-12(8-6-11)20-14-4-2-1-3-13(14)15-21-23-24(22-15)9-10-25/h1-8,20,25H,9-10H2
InChIKeyJHRVNVLPOCKDJC-UHFFFAOYSA-N
XLogP3.09
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol 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 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol?
The IUPAC name of 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol (CID 135372374) is 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol?
The canonical SMILES for 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol is OCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol?
The InChIKey is JHRVNVLPOCKDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c17-16(18,19)11-5-7-12(8-6-11)20-14-4-2-1-3-13(14)15-21-23-24(22-15)9-10-25/h1-8,20,25H,9-10H2.
What are the key properties of 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol?
2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol has a molecular weight of 349.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol is sourced from PubChem (CID 135372374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).