1-(4,4-difluorocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone

C10H14F2N4O — CID 107063622

IUPAC1-(4,4-difluorocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H14F2N4O/c1-16-14-9(13-15-16)6-8(17)7-2-4-10(11,12)5-3-7/h7H,2-6H2,1H3
InChIKeyACAUWBHHNWWNPL-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.15
Rot. Bonds3

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

1-(4,4-difluorocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107063622) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107063622
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCC(F)(F)CC2)n1
InChIInChI=1S/C10H14F2N4O/c1-16-14-9(13-15-16)6-8(17)7-2-4-10(11,12)5-3-7/h7H,2-6H2,1H3
InChIKeyACAUWBHHNWWNPL-UHFFFAOYSA-N
XLogP1.15
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-Ethyl-2h-tetrazol-5-yl)acetyl]cyclohexane-1,3-dione
CID 163183551
2-(2-Methyltetrazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 107063267
2-(2-Methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 107063318
2-(2-Methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 113912001
2-[(5-Methyltetrazol-2-yl)methyl]cyclohexan-1-one
CID 59088662
2-[(2-Methyltetrazol-5-yl)methyl]cyclohexan-1-one
CID 107044514
4-Methyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one
CID 107044523
4-Ethyl-2-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-one
CID 107044525
2-[(2-Methyltetrazol-5-yl)methyl]-4-propylcyclohexan-1-one
CID 107044527
2-[(2-Methyltetrazol-5-yl)methyl]-4-propan-2-ylcyclohexan-1-one
CID 107044534
1-Cyclohexyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107046887
1-Cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107046907

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107063622) is 1-(4,4-difluorocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2CCC(F)(F)CC2)n1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is ACAUWBHHNWWNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O/c1-16-14-9(13-15-16)6-8(17)7-2-4-10(11,12)5-3-7/h7H,2-6H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(4,4-difluorocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 244.24 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107063622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).