2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol

C17H16F3N5O — CID 146402527

IUPAC2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol
SMILESCC(CO)n1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H16F3N5O/c1-11(10-26)25-23-16(22-24-25)14-4-2-3-5-15(14)21-13-8-6-12(7-9-13)17(18,19)20/h2-9,11,21,26H,10H2,1H3
InChIKeyKPXAWEKKGPOFPH-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.66
Rot. Bonds5

About 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol

2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol (PubChem CID 146402527) has the molecular formula C17H16F3N5O and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol
PubChem CID146402527
Molecular FormulaC17H16F3N5O
Molecular Weight363.34 g/mol
Exact Mass363.13
IUPAC Name2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol
SMILESCC(CO)n1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H16F3N5O/c1-11(10-26)25-23-16(22-24-25)14-4-2-3-5-15(14)21-13-8-6-12(7-9-13)17(18,19)20/h2-9,11,21,26H,10H2,1H3
InChIKeyKPXAWEKKGPOFPH-UHFFFAOYSA-N
XLogP3.66
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol?
The IUPAC name of 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol (CID 146402527) is 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol.
What is the SMILES notation for 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol?
The canonical SMILES for 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol is CC(CO)n1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol?
The InChIKey is KPXAWEKKGPOFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O/c1-11(10-26)25-23-16(22-24-25)14-4-2-3-5-15(14)21-13-8-6-12(7-9-13)17(18,19)20/h2-9,11,21,26H,10H2,1H3.
What are the key properties of 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol?
2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol has a molecular weight of 363.34 g/mol, XLogP of 3.66, 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]propan-1-ol is sourced from PubChem (CID 146402527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).