4-(5-cyclohexyltetrazol-1-yl)-3-fluorobenzoic acid

C14H15FN4O2 — CID 63189836

IUPAC4-(5-cyclohexyltetrazol-1-yl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-n2nnnc2C2CCCCC2)c(F)c1
InChIInChI=1S/C14H15FN4O2/c15-11-8-10(14(20)21)6-7-12(11)19-13(16-17-18-19)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,20,21)
InChIKeyOXVWIENIKRMDJX-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.55
Rot. Bonds3

About 4-(5-cyclohexyltetrazol-1-yl)-3-fluorobenzoic acid

4-(5-cyclohexyltetrazol-1-yl)-3-fluorobenzoic acid (PubChem CID 63189836) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 4-(5-cyclohexyltetrazol-1-yl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(5-cyclohexyltetrazol-1-yl)-3-fluorobenzoic acid
PubChem CID63189836
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name4-(5-cyclohexyltetrazol-1-yl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-n2nnnc2C2CCCCC2)c(F)c1
InChIInChI=1S/C14H15FN4O2/c15-11-8-10(14(20)21)6-7-12(11)19-13(16-17-18-19)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,20,21)
InChIKeyOXVWIENIKRMDJX-UHFFFAOYSA-N
XLogP2.55
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclohexyltetrazol-1-yl)-3-fluorobenzoic acid?
The IUPAC name of 4-(5-cyclohexyltetrazol-1-yl)-3-fluorobenzoic acid (CID 63189836) is 4-(5-cyclohexyltetrazol-1-yl)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(5-cyclohexyltetrazol-1-yl)-3-fluorobenzoic acid?
The canonical SMILES for 4-(5-cyclohexyltetrazol-1-yl)-3-fluorobenzoic acid is O=C(O)c1ccc(-n2nnnc2C2CCCCC2)c(F)c1.
What is the InChIKey of 4-(5-cyclohexyltetrazol-1-yl)-3-fluorobenzoic acid?
The InChIKey is OXVWIENIKRMDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-11-8-10(14(20)21)6-7-12(11)19-13(16-17-18-19)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,20,21).
What are the key properties of 4-(5-cyclohexyltetrazol-1-yl)-3-fluorobenzoic acid?
4-(5-cyclohexyltetrazol-1-yl)-3-fluorobenzoic acid has a molecular weight of 290.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclohexyltetrazol-1-yl)-3-fluorobenzoic acid is sourced from PubChem (CID 63189836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).