5-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole

C14H10ClFN4 — CID 19798559

IUPAC5-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole
SMILESFc1ccc(-n2nnnc2Cc2ccccc2Cl)cc1
InChIInChI=1S/C14H10ClFN4/c15-13-4-2-1-3-10(13)9-14-17-18-19-20(14)12-7-5-11(16)6-8-12/h1-8H,9H2
InChIKeyPMEOFJWZYJPQBC-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.05
Rot. Bonds3

About 5-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole

5-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole (PubChem CID 19798559) has the molecular formula C14H10ClFN4 and a molecular weight of 288.71 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole
PubChem CID19798559
Molecular FormulaC14H10ClFN4
Molecular Weight288.71 g/mol
Exact Mass288.06
IUPAC Name5-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole
SMILESFc1ccc(-n2nnnc2Cc2ccccc2Cl)cc1
InChIInChI=1S/C14H10ClFN4/c15-13-4-2-1-3-10(13)9-14-17-18-19-20(14)12-7-5-11(16)6-8-12/h1-8H,9H2
InChIKeyPMEOFJWZYJPQBC-UHFFFAOYSA-N
XLogP3.05
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
1-(2-chlorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine
CID 29339732
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 18565796
4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine
CID 114182253
2-chloro-6-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline
CID 104530691
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62736275
(2-chloro-6-fluorophenyl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937119
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 55109003
4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 27548864
2-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 16799279
5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 16799284
2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole (CID 19798559) is 5-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole is Fc1ccc(-n2nnnc2Cc2ccccc2Cl)cc1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole?
The InChIKey is PMEOFJWZYJPQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4/c15-13-4-2-1-3-10(13)9-14-17-18-19-20(14)12-7-5-11(16)6-8-12/h1-8H,9H2.
What are the key properties of 5-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole?
5-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole has a molecular weight of 288.71 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)tetrazole is sourced from PubChem (CID 19798559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).