3-fluoro-4-(tetrazol-1-yloxy)benzonitrile

C8H4FN5O — CID 137427046

IUPAC3-fluoro-4-(tetrazol-1-yloxy)benzonitrile
SMILESN#Cc1ccc(On2cnnn2)c(F)c1
InChIInChI=1S/C8H4FN5O/c9-7-3-6(4-10)1-2-8(7)15-14-5-11-12-13-14/h1-3,5H
InChIKeyDUUMJKCZEKJLTK-UHFFFAOYSA-N
MW205.15 g/mol
LogP0.53
Rot. Bonds2

About 3-fluoro-4-(tetrazol-1-yloxy)benzonitrile

3-fluoro-4-(tetrazol-1-yloxy)benzonitrile (PubChem CID 137427046) has the molecular formula C8H4FN5O and a molecular weight of 205.15 g/mol. Its IUPAC name is 3-fluoro-4-(tetrazol-1-yloxy)benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(tetrazol-1-yloxy)benzonitrile
PubChem CID137427046
Molecular FormulaC8H4FN5O
Molecular Weight205.15 g/mol
Exact Mass205.04
IUPAC Name3-fluoro-4-(tetrazol-1-yloxy)benzonitrile
SMILESN#Cc1ccc(On2cnnn2)c(F)c1
InChIInChI=1S/C8H4FN5O/c9-7-3-6(4-10)1-2-8(7)15-14-5-11-12-13-14/h1-3,5H
InChIKeyDUUMJKCZEKJLTK-UHFFFAOYSA-N
XLogP0.53
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.15
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-cyano-2-fluorophenoxy)boronic acid
CID 142767760
4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-fluorobenzonitrile
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4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801
2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile
CID 107664811
4-[(3-fluorophenyl)methoxy]-3-(tetrazol-1-yl)benzonitrile
CID 155663789
3-fluoro-4-(furan-3-ylmethoxy)benzonitrile
CID 107670468
4-(3,4-dichlorophenoxy)-3-fluorobenzonitrile
CID 54897766
3-fluoro-4-(2-methylbutoxy)benzonitrile
CID 103792131
3-fluoro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzonitrile
CID 102722144
4-[2-(4-cyanophenoxy)ethoxy]-3-fluorobenzonitrile
CID 103792210
3-fluoro-4-(2,2,2-trifluoroethoxy)benzonitrile
CID 14774191
3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile
CID 107670454

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(tetrazol-1-yloxy)benzonitrile?
The IUPAC name of 3-fluoro-4-(tetrazol-1-yloxy)benzonitrile (CID 137427046) is 3-fluoro-4-(tetrazol-1-yloxy)benzonitrile.
What is the SMILES notation for 3-fluoro-4-(tetrazol-1-yloxy)benzonitrile?
The canonical SMILES for 3-fluoro-4-(tetrazol-1-yloxy)benzonitrile is N#Cc1ccc(On2cnnn2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(tetrazol-1-yloxy)benzonitrile?
The InChIKey is DUUMJKCZEKJLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FN5O/c9-7-3-6(4-10)1-2-8(7)15-14-5-11-12-13-14/h1-3,5H.
What are the key properties of 3-fluoro-4-(tetrazol-1-yloxy)benzonitrile?
3-fluoro-4-(tetrazol-1-yloxy)benzonitrile has a molecular weight of 205.15 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(tetrazol-1-yloxy)benzonitrile is sourced from PubChem (CID 137427046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).