1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone

C10H8F2N4O — CID 107046842

IUPAC1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H8F2N4O/c1-16-14-10(13-15-16)5-9(17)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3
InChIKeyMHWDJKUZLBPPAZ-UHFFFAOYSA-N
MW238.20 g/mol
LogP0.91
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107046842) has the molecular formula C10H8F2N4O and a molecular weight of 238.20 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107046842
Molecular FormulaC10H8F2N4O
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)c2ccc(F)c(F)c2)n1
InChIInChI=1S/C10H8F2N4O/c1-16-14-10(13-15-16)5-9(17)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3
InChIKeyMHWDJKUZLBPPAZ-UHFFFAOYSA-N
XLogP0.91
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromo-4-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047423
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107063236
1-(3-bromo-4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063270
1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107061734
1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107061812
1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063527
1-(3-bromo-5-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107944902
1-(2-chloro-3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063619
1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047688
1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046873
1-(4-methyl-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047055
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047088

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107046842) is 1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)c2ccc(F)c(F)c2)n1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is MHWDJKUZLBPPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O/c1-16-14-10(13-15-16)5-9(17)6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 238.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107046842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).