2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol

C11H11F3N4O — CID 107045890

IUPAC2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCn1nnc(CC(O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4O/c1-18-16-10(15-17-18)6-9(19)7-4-2-3-5-8(7)11(12,13)14/h2-5,9,19H,6H2,1H3
InChIKeyXBUKESBSFJIOGI-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.50
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol

2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 107045890) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID107045890
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESCn1nnc(CC(O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C11H11F3N4O/c1-18-16-10(15-17-18)6-9(19)7-4-2-3-5-8(7)11(12,13)14/h2-5,9,19H,6H2,1H3
InChIKeyXBUKESBSFJIOGI-UHFFFAOYSA-N
XLogP1.50
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107064971
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107047811
1-(2-iodo-3-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 114030498
1-(3-bromo-2-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065856
1-(2,3-dimethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045875
1-(3-fluoro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107048053
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
2-(2,6-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 63411008
4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde
CID 20601525
N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049108
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
(1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 96951616

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol (CID 107045890) is 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol is Cn1nnc(CC(O)c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is XBUKESBSFJIOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-18-16-10(15-17-18)6-9(19)7-4-2-3-5-8(7)11(12,13)14/h2-5,9,19H,6H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol?
2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 272.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 107045890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).