cyclohexyl-(3,5-difluoro-2-methoxyphenyl)methanone

C14H16F2O2 — CID 146006116

IUPACcyclohexyl-(3,5-difluoro-2-methoxyphenyl)methanone
SMILESCOc1c(F)cc(F)cc1C(=O)C1CCCCC1
InChIInChI=1S/C14H16F2O2/c1-18-14-11(7-10(15)8-12(14)16)13(17)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
InChIKeyZNGHEFBAKZKZDW-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.74
Rot. Bonds3

About cyclohexyl-(3,5-difluoro-2-methoxyphenyl)methanone

cyclohexyl-(3,5-difluoro-2-methoxyphenyl)methanone (PubChem CID 146006116) has the molecular formula C14H16F2O2 and a molecular weight of 254.28 g/mol. Its IUPAC name is cyclohexyl-(3,5-difluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Namecyclohexyl-(3,5-difluoro-2-methoxyphenyl)methanone
PubChem CID146006116
Molecular FormulaC14H16F2O2
Molecular Weight254.28 g/mol
Exact Mass254.11
IUPAC Namecyclohexyl-(3,5-difluoro-2-methoxyphenyl)methanone
SMILESCOc1c(F)cc(F)cc1C(=O)C1CCCCC1
InChIInChI=1S/C14H16F2O2/c1-18-14-11(7-10(15)8-12(14)16)13(17)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
InChIKeyZNGHEFBAKZKZDW-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3,5-difluoro-2-methoxyphenyl)methanone?
The IUPAC name of cyclohexyl-(3,5-difluoro-2-methoxyphenyl)methanone (CID 146006116) is cyclohexyl-(3,5-difluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for cyclohexyl-(3,5-difluoro-2-methoxyphenyl)methanone?
The canonical SMILES for cyclohexyl-(3,5-difluoro-2-methoxyphenyl)methanone is COc1c(F)cc(F)cc1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(3,5-difluoro-2-methoxyphenyl)methanone?
The InChIKey is ZNGHEFBAKZKZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O2/c1-18-14-11(7-10(15)8-12(14)16)13(17)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3.
What are the key properties of cyclohexyl-(3,5-difluoro-2-methoxyphenyl)methanone?
cyclohexyl-(3,5-difluoro-2-methoxyphenyl)methanone has a molecular weight of 254.28 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3,5-difluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 146006116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).