4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)benzonitrile

C15H10FN5O — CID 155663789

IUPAC4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)benzonitrile
SMILESN#Cc1ccc(OCc2cccc(F)c2)c(-n2cnnn2)c1
InChIInChI=1S/C15H10FN5O/c16-13-3-1-2-12(6-13)9-22-15-5-4-11(8-17)7-14(15)21-10-18-19-20-21/h1-7,10H,9H2
InChIKeyXKSGMPZQWAQANQ-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.25
Rot. Bonds4

About 4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)benzonitrile

4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)benzonitrile (PubChem CID 155663789) has the molecular formula C15H10FN5O and a molecular weight of 295.28 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)benzonitrile.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)benzonitrile
PubChem CID155663789
Molecular FormulaC15H10FN5O
Molecular Weight295.28 g/mol
Exact Mass295.09
IUPAC Name4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)benzonitrile
SMILESN#Cc1ccc(OCc2cccc(F)c2)c(-n2cnnn2)c1
InChIInChI=1S/C15H10FN5O/c16-13-3-1-2-12(6-13)9-22-15-5-4-11(8-17)7-14(15)21-10-18-19-20-21/h1-7,10H,9H2
InChIKeyXKSGMPZQWAQANQ-UHFFFAOYSA-N
XLogP2.25
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 103760064
ethyl 2-[4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)phenyl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 172698248
3-[(3-fluorophenyl)methoxy]benzonitrile
CID 27108743
4-[(4-fluorophenyl)methoxy]-N'-hydroxy-3-(tetrazol-1-yl)benzenecarboximidamide
CID 155663788
3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile
CID 43702183
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-4-(tetrazol-1-yl)benzamide
CID 33064509
3-amino-4-[(3,5-difluorophenyl)methoxy]benzonitrile
CID 105402147
3-[(3,5-difluorophenoxy)methyl]benzonitrile
CID 62784850
5-[(4-cyano-2-fluorophenoxy)methyl]-2-fluorobenzonitrile
CID 103793487
3-fluoro-4-(tetrazol-1-yloxy)benzonitrile
CID 137427046
1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole
CID 1157293
3-[[4-(bromomethyl)-2-fluorophenoxy]methyl]benzonitrile
CID 107691629

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)benzonitrile?
The IUPAC name of 4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)benzonitrile (CID 155663789) is 4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)benzonitrile.
What is the SMILES notation for 4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)benzonitrile?
The canonical SMILES for 4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)benzonitrile is N#Cc1ccc(OCc2cccc(F)c2)c(-n2cnnn2)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)benzonitrile?
The InChIKey is XKSGMPZQWAQANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5O/c16-13-3-1-2-12(6-13)9-22-15-5-4-11(8-17)7-14(15)21-10-18-19-20-21/h1-7,10H,9H2.
What are the key properties of 4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)benzonitrile?
4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)benzonitrile has a molecular weight of 295.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)benzonitrile is sourced from PubChem (CID 155663789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).