2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol

C16H13F3N4O — CID 110908038

IUPAC2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cn1nnc(-c2ccccc2)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)13-8-6-11(7-9-13)14(24)10-23-21-15(20-22-23)12-4-2-1-3-5-12/h1-9,14,24H,10H2
InChIKeyUIWDPMHZPFHZJM-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.09
Rot. Bonds4

About 2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol

2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 110908038) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID110908038
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cn1nnc(-c2ccccc2)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N4O/c17-16(18,19)13-8-6-11(7-9-13)14(24)10-23-21-15(20-22-23)12-4-2-1-3-5-12/h1-9,14,24H,10H2
InChIKeyUIWDPMHZPFHZJM-UHFFFAOYSA-N
XLogP3.09
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methanol
CID 604211
3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid
CID 119089174
(2S)-1-chloro-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 7233521
1-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine
CID 63771728
(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 101378731
1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazol-2-yl]butan-2-ol
CID 158381907
(1S)-2-[4-(2-amino-2-phenylethyl)triazol-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 154769254
2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol
CID 79173649
(2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94797788
(2R)-1-(4-phenylphenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 30136047
1-(2-methylpropylamino)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 115475591
(2R)-2-methyl-3-(5-phenyltetrazol-2-yl)propanenitrile
CID 8684817

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol (CID 110908038) is 2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol is OC(Cn1nnc(-c2ccccc2)n1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is UIWDPMHZPFHZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c17-16(18,19)13-8-6-11(7-9-13)14(24)10-23-21-15(20-22-23)12-4-2-1-3-5-12/h1-9,14,24H,10H2.
What are the key properties of 2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 334.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 110908038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).