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

C9H7F3N4O — CID 604211

IUPAC[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methanol
SMILESOCn1nnc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C9H7F3N4O/c10-9(11,12)7-3-1-6(2-4-7)8-13-15-16(5-17)14-8/h1-4,17H,5H2
InChIKeyOIDZEPOUZXJXJJ-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.31
Rot. Bonds2

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

[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methanol (PubChem CID 604211) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is [5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methanol
PubChem CID604211
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC Name[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methanol
SMILESOCn1nnc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C9H7F3N4O/c10-9(11,12)7-3-1-6(2-4-7)8-13-15-16(5-17)14-8/h1-4,17H,5H2
InChIKeyOIDZEPOUZXJXJJ-UHFFFAOYSA-N
XLogP1.31
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid
CID 119089174
2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 110908038
5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole
CID 7490330
2-(5-thiophen-3-yltetrazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9128049
4,5-dimethoxy-2-[[2-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]acetyl]amino]benzoate
CID 40773636
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7713296
4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 99704636
7-[5-(4-bromophenyl)tetrazol-2-yl]-1,1,1-trifluoroheptan-2-one
CID 58423652
1-(4-tert-butylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]ethanone
CID 7844990
5-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]tetrazole
CID 7465761
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
CID 1166112
4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
CID 552573

Frequently Asked Questions

What is the IUPAC name of [5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methanol?
The IUPAC name of [5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methanol (CID 604211) is [5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methanol.
What is the SMILES notation for [5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methanol?
The canonical SMILES for [5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methanol is OCn1nnc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of [5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methanol?
The InChIKey is OIDZEPOUZXJXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c10-9(11,12)7-3-1-6(2-4-7)8-13-15-16(5-17)14-8/h1-4,17H,5H2.
What are the key properties of [5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methanol?
[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methanol has a molecular weight of 244.18 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methanol is sourced from PubChem (CID 604211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).