5-[2-fluoro-4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole

C16H14F2N4 — CID 58129143

IUPAC5-[2-fluoro-4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole
SMILESFc1ccccc1CCCc1ccc(-c2nn[nH]n2)c(F)c1
InChIInChI=1S/C16H14F2N4/c17-14-7-2-1-5-12(14)6-3-4-11-8-9-13(15(18)10-11)16-19-21-22-20-16/h1-2,5,7-10H,3-4,6H2,(H,19,20,21,22)
InChIKeyXCXNHZJHEYKCKA-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.32
Rot. Bonds5

About 5-[2-fluoro-4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole

5-[2-fluoro-4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole (PubChem CID 58129143) has the molecular formula C16H14F2N4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-[2-fluoro-4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-fluoro-4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole
PubChem CID58129143
Molecular FormulaC16H14F2N4
Molecular Weight300.31 g/mol
Exact Mass300.12
IUPAC Name5-[2-fluoro-4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole
SMILESFc1ccccc1CCCc1ccc(-c2nn[nH]n2)c(F)c1
InChIInChI=1S/C16H14F2N4/c17-14-7-2-1-5-12(14)6-3-4-11-8-9-13(15(18)10-11)16-19-21-22-20-16/h1-2,5,7-10H,3-4,6H2,(H,19,20,21,22)
InChIKeyXCXNHZJHEYKCKA-UHFFFAOYSA-N
XLogP3.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole
CID 58128939
N-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 118576358
4-[3-(2-fluorophenyl)propyl]aniline
CID 47003655
5-(3-naphthalen-2-ylpropyl)-2H-tetrazole
CID 90064654
1-fluoro-2-(5-phenylpentyl)benzene
CID 90957769
5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
CID 157133438
2-(2-fluoro-4-octylphenyl)pyrimidine
CID 57127458
5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate
CID 22010194
5-[3-fluoro-2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-2H-tetrazole
CID 159309326
5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole
CID 67555951
4-(3-fluoro-4-phenylphenyl)butan-1-ol
CID 172805530
2-fluoro-4-(4-fluorobutyl)-1-phenylbenzene
CID 20663568

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[2-fluoro-4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole (CID 58129143) is 5-[2-fluoro-4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-fluoro-4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-fluoro-4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole is Fc1ccccc1CCCc1ccc(-c2nn[nH]n2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole?
The InChIKey is XCXNHZJHEYKCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4/c17-14-7-2-1-5-12(14)6-3-4-11-8-9-13(15(18)10-11)16-19-21-22-20-16/h1-2,5,7-10H,3-4,6H2,(H,19,20,21,22).
What are the key properties of 5-[2-fluoro-4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole?
5-[2-fluoro-4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole has a molecular weight of 300.31 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 58129143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).