1-[2-(trifluoromethoxy)phenyl]tetrazole

C8H5F3N4O — CID 174878293

IUPAC1-[2-(trifluoromethoxy)phenyl]tetrazole
SMILESFC(F)(F)Oc1ccccc1-n1cnnn1
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)16-7-4-2-1-3-6(7)15-5-12-13-14-15/h1-5H
InChIKeyVQPNNRFBURQZNB-UHFFFAOYSA-N
MW230.15 g/mol
LogP1.56
Rot. Bonds2

About 1-[2-(trifluoromethoxy)phenyl]tetrazole

1-[2-(trifluoromethoxy)phenyl]tetrazole (PubChem CID 174878293) has the molecular formula C8H5F3N4O and a molecular weight of 230.15 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)phenyl]tetrazole.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)phenyl]tetrazole
PubChem CID174878293
Molecular FormulaC8H5F3N4O
Molecular Weight230.15 g/mol
Exact Mass230.04
IUPAC Name1-[2-(trifluoromethoxy)phenyl]tetrazole
SMILESFC(F)(F)Oc1ccccc1-n1cnnn1
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)16-7-4-2-1-3-6(7)15-5-12-13-14-15/h1-5H
InChIKeyVQPNNRFBURQZNB-UHFFFAOYSA-N
XLogP1.56
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-5-methylphenyl)-1H-tetrazole
CID 950841
1H-Tetrazole, 1-(2-methoxy-5-nitrophenyl)-
CID 702207
4-methoxy-3-(1H-tetrazol-1-yl)aniline
CID 16193800
1-(3-Methoxy-phenyl)-1H-tetrazole
CID 856021
1-(4-Methoxy-phenyl)-1H-tetrazole
CID 270008
1-(2,5-dimethoxyphenyl)-1H-tetrazole
CID 665562
5-(4-Fluorophenoxy)-1-phenyltetrazole
CID 713745
1-(4-phenoxyphenyl)-1H-tetraazole
CID 781454
3-methoxy-4-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 778173
N,N-dimethyl-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3,4-tetraazol-5-amine
CID 1475259
1-(5-chloro-2-methoxyphenyl)-1H-tetrazole
CID 856074
2-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 15496731

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)phenyl]tetrazole?
The IUPAC name of 1-[2-(trifluoromethoxy)phenyl]tetrazole (CID 174878293) is 1-[2-(trifluoromethoxy)phenyl]tetrazole.
What is the SMILES notation for 1-[2-(trifluoromethoxy)phenyl]tetrazole?
The canonical SMILES for 1-[2-(trifluoromethoxy)phenyl]tetrazole is FC(F)(F)Oc1ccccc1-n1cnnn1.
What is the InChIKey of 1-[2-(trifluoromethoxy)phenyl]tetrazole?
The InChIKey is VQPNNRFBURQZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O/c9-8(10,11)16-7-4-2-1-3-6(7)15-5-12-13-14-15/h1-5H.
What are the key properties of 1-[2-(trifluoromethoxy)phenyl]tetrazole?
1-[2-(trifluoromethoxy)phenyl]tetrazole has a molecular weight of 230.15 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)phenyl]tetrazole is sourced from PubChem (CID 174878293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).