2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-2-ethoxyethanone

C14H16F2O2 — CID 116709249

IUPAC2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-2-ethoxyethanone
SMILESCCOC(C(=O)c1c(F)ccc(C)c1F)C1CC1
InChIInChI=1S/C14H16F2O2/c1-3-18-14(9-5-6-9)13(17)11-10(15)7-4-8(2)12(11)16/h4,7,9,14H,3,5-6H2,1-2H3
InChIKeyBFESYSOMVQSVGY-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.27
Rot. Bonds5

About 2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-2-ethoxyethanone

2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-2-ethoxyethanone (PubChem CID 116709249) has the molecular formula C14H16F2O2 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-2-ethoxyethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-2-ethoxyethanone
PubChem CID116709249
Molecular FormulaC14H16F2O2
Molecular Weight254.28 g/mol
Exact Mass254.11
IUPAC Name2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-2-ethoxyethanone
SMILESCCOC(C(=O)c1c(F)ccc(C)c1F)C1CC1
InChIInChI=1S/C14H16F2O2/c1-3-18-14(9-5-6-9)13(17)11-10(15)7-4-8(2)12(11)16/h4,7,9,14H,3,5-6H2,1-2H3
InChIKeyBFESYSOMVQSVGY-UHFFFAOYSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-2-ethoxyethanone?
The IUPAC name of 2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-2-ethoxyethanone (CID 116709249) is 2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-2-ethoxyethanone.
What is the SMILES notation for 2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-2-ethoxyethanone?
The canonical SMILES for 2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-2-ethoxyethanone is CCOC(C(=O)c1c(F)ccc(C)c1F)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-2-ethoxyethanone?
The InChIKey is BFESYSOMVQSVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O2/c1-3-18-14(9-5-6-9)13(17)11-10(15)7-4-8(2)12(11)16/h4,7,9,14H,3,5-6H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-2-ethoxyethanone?
2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-2-ethoxyethanone has a molecular weight of 254.28 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-2-ethoxyethanone is sourced from PubChem (CID 116709249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).