(2,4-difluoro-5-methylphenyl)-(1-methylcyclopropyl)methanone

C12H12F2O — CID 130553061

IUPAC(2,4-difluoro-5-methylphenyl)-(1-methylcyclopropyl)methanone
SMILESCc1cc(C(=O)C2(C)CC2)c(F)cc1F
InChIInChI=1S/C12H12F2O/c1-7-5-8(10(14)6-9(7)13)11(15)12(2)3-4-12/h5-6H,3-4H2,1-2H3
InChIKeyBISQTBRLHXFPJZ-UHFFFAOYSA-N
MW210.22 g/mol
LogP3.26
Rot. Bonds2

About (2,4-difluoro-5-methylphenyl)-(1-methylcyclopropyl)methanone

(2,4-difluoro-5-methylphenyl)-(1-methylcyclopropyl)methanone (PubChem CID 130553061) has the molecular formula C12H12F2O and a molecular weight of 210.22 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(1-methylcyclopropyl)methanone
PubChem CID130553061
Molecular FormulaC12H12F2O
Molecular Weight210.22 g/mol
Exact Mass210.09
IUPAC Name(2,4-difluoro-5-methylphenyl)-(1-methylcyclopropyl)methanone
SMILESCc1cc(C(=O)C2(C)CC2)c(F)cc1F
InChIInChI=1S/C12H12F2O/c1-7-5-8(10(14)6-9(7)13)11(15)12(2)3-4-12/h5-6H,3-4H2,1-2H3
InChIKeyBISQTBRLHXFPJZ-UHFFFAOYSA-N
XLogP3.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(1-methylcyclopropyl)methanone?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(1-methylcyclopropyl)methanone (CID 130553061) is (2,4-difluoro-5-methylphenyl)-(1-methylcyclopropyl)methanone.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(1-methylcyclopropyl)methanone?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(1-methylcyclopropyl)methanone is Cc1cc(C(=O)C2(C)CC2)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(1-methylcyclopropyl)methanone?
The InChIKey is BISQTBRLHXFPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O/c1-7-5-8(10(14)6-9(7)13)11(15)12(2)3-4-12/h5-6H,3-4H2,1-2H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(1-methylcyclopropyl)methanone?
(2,4-difluoro-5-methylphenyl)-(1-methylcyclopropyl)methanone has a molecular weight of 210.22 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 130553061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).