5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole

C15H10F4N4 — CID 159309326

IUPAC5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
SMILESFc1cccc(-c2nn[nH]n2)c1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F4N4/c16-13-3-1-2-11(14-20-22-23-21-14)12(13)8-9-4-6-10(7-5-9)15(17,18)19/h1-7H,8H2,(H,20,21,22,23)
InChIKeyZIJBEUJKEHHHIG-UHFFFAOYSA-N
MW322.27 g/mol
LogP3.62
Rot. Bonds3

About 5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole

5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole (PubChem CID 159309326) has the molecular formula C15H10F4N4 and a molecular weight of 322.27 g/mol. Its IUPAC name is 5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
PubChem CID159309326
Molecular FormulaC15H10F4N4
Molecular Weight322.27 g/mol
Exact Mass322.08
IUPAC Name5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
SMILESFc1cccc(-c2nn[nH]n2)c1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F4N4/c16-13-3-1-2-11(14-20-22-23-21-14)12(13)8-9-4-6-10(7-5-9)15(17,18)19/h1-7H,8H2,(H,20,21,22,23)
InChIKeyZIJBEUJKEHHHIG-UHFFFAOYSA-N
XLogP3.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
CID 157133438
2-(2H-tetrazol-5-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 159208461
3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 68649813
3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 135372289
3-(2H-tetrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohepta[b]pyrrol-2-one
CID 10429282
5-(3-chloro-2-fluorophenyl)-2H-tetrazole
CID 63034901
3-(2H-tetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-4-amine
CID 135372219
2-[5-(2H-tetrazol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 155224026
4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane;2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazole;5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
CID 159846628
1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene
CID 119018049
N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 9404095
(1-methylpyrazol-4-yl)boronic acid;2-(1-methylpyrazol-4-yl)-5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]tetrazole;5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
CID 158413987

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole (CID 159309326) is 5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole is Fc1cccc(-c2nn[nH]n2)c1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole?
The InChIKey is ZIJBEUJKEHHHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4/c16-13-3-1-2-11(14-20-22-23-21-14)12(13)8-9-4-6-10(7-5-9)15(17,18)19/h1-7H,8H2,(H,20,21,22,23).
What are the key properties of 5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole?
5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole has a molecular weight of 322.27 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 159309326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).