5-[1-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-tetrazole

C16H12F4N4 — CID 11566215

IUPAC5-[1-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-tetrazole
SMILESCC(c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1)c1nn[nH]n1
InChIInChI=1S/C16H12F4N4/c1-9(15-21-23-24-22-15)11-4-7-13(14(17)8-11)10-2-5-12(6-3-10)16(18,19)20/h2-9H,1H3,(H,21,22,23,24)
InChIKeyJOZCMMCCPQJFBU-UHFFFAOYSA-N
MW336.29 g/mol
LogP4.18
Rot. Bonds3

About 5-[1-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-tetrazole

5-[1-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-tetrazole (PubChem CID 11566215) has the molecular formula C16H12F4N4 and a molecular weight of 336.29 g/mol. Its IUPAC name is 5-[1-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[1-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-tetrazole
PubChem CID11566215
Molecular FormulaC16H12F4N4
Molecular Weight336.29 g/mol
Exact Mass336.10
IUPAC Name5-[1-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-tetrazole
SMILESCC(c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1)c1nn[nH]n1
InChIInChI=1S/C16H12F4N4/c1-9(15-21-23-24-22-15)11-4-7-13(14(17)8-11)10-2-5-12(6-3-10)16(18,19)20/h2-9H,1H3,(H,21,22,23,24)
InChIKeyJOZCMMCCPQJFBU-UHFFFAOYSA-N
XLogP4.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 151494065
N-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 126799440
N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 90892461
2-fluoro-4-[2-fluoro-4-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]benzamide
CID 22481649
ditritiomethane;2-fluoro-4-[[3-fluoro-4-(4-methylphenyl)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]benzene
CID 158262258
3-chloro-2-[(4-chlorophenyl)-(2H-tetrazol-5-yl)methyl]-5-(trifluoromethyl)pyridine
CID 110208573
N-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]-1-(2H-tetrazol-5-yl)-2H-pyrimidin-2-amine
CID 141333585
2-(2H-tetrazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 151075749
2-[3,4-bis[4-(trifluoromethyl)phenyl]phenyl]-3-methylbutanoic acid
CID 87697048
3-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 132587754
(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 67342546
3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine
CID 142779110

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-tetrazole?
The IUPAC name of 5-[1-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-tetrazole (CID 11566215) is 5-[1-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-tetrazole.
What is the SMILES notation for 5-[1-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-tetrazole?
The canonical SMILES for 5-[1-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-tetrazole is CC(c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1)c1nn[nH]n1.
What is the InChIKey of 5-[1-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-tetrazole?
The InChIKey is JOZCMMCCPQJFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4/c1-9(15-21-23-24-22-15)11-4-7-13(14(17)8-11)10-2-5-12(6-3-10)16(18,19)20/h2-9H,1H3,(H,21,22,23,24).
What are the key properties of 5-[1-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-tetrazole?
5-[1-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-tetrazole has a molecular weight of 336.29 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-2H-tetrazole is sourced from PubChem (CID 11566215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).