1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone

C10H8ClFN4O — CID 107063619

IUPAC1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)c2cccc(F)c2Cl)n1
InChIInChI=1S/C10H8ClFN4O/c1-16-14-9(13-15-16)5-8(17)6-3-2-4-7(12)10(6)11/h2-4H,5H2,1H3
InChIKeyGIXGQIACQYOXGP-UHFFFAOYSA-N
MW254.65 g/mol
LogP1.43
Rot. Bonds3

About 1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107063619) has the molecular formula C10H8ClFN4O and a molecular weight of 254.65 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107063619
Molecular FormulaC10H8ClFN4O
Molecular Weight254.65 g/mol
Exact Mass254.04
IUPAC Name1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)c2cccc(F)c2Cl)n1
InChIInChI=1S/C10H8ClFN4O/c1-16-14-9(13-15-16)5-8(17)6-3-2-4-7(12)10(6)11/h2-4H,5H2,1H3
InChIKeyGIXGQIACQYOXGP-UHFFFAOYSA-N
XLogP1.43
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063250
2-(2-methyltetrazol-5-yl)-1-naphthalen-1-ylethanone
CID 107046984
1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046873
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047088
1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047688
1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046842
1-(3-bromo-4-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047423
1-(3-methyl-4-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047405
1-(1-benzothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063264
1-(1,5-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063336
1-(2-chloro-3-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968326
1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107061734

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107063619) is 1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)c2cccc(F)c2Cl)n1.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is GIXGQIACQYOXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O/c1-16-14-9(13-15-16)5-8(17)6-3-2-4-7(12)10(6)11/h2-4H,5H2,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 254.65 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107063619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).