1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]-2-methylpropan-1-one

C19H24F2O3 — CID 67803637

IUPAC1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)C1(C(OC2CCCCO2)c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H24F2O3/c1-12(2)17(22)19(8-9-19)18(24-16-5-3-4-10-23-16)14-7-6-13(20)11-15(14)21/h6-7,11-12,16,18H,3-5,8-10H2,1-2H3
InChIKeyGEPGPFRRCPMGTB-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.55
Rot. Bonds6

About 1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]-2-methylpropan-1-one

1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]-2-methylpropan-1-one (PubChem CID 67803637) has the molecular formula C19H24F2O3 and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]-2-methylpropan-1-one
PubChem CID67803637
Molecular FormulaC19H24F2O3
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC Name1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]-2-methylpropan-1-one
SMILESCC(C)C(=O)C1(C(OC2CCCCO2)c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H24F2O3/c1-12(2)17(22)19(8-9-19)18(24-16-5-3-4-10-23-16)14-7-6-13(20)11-15(14)21/h6-7,11-12,16,18H,3-5,8-10H2,1-2H3
InChIKeyGEPGPFRRCPMGTB-UHFFFAOYSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]-2-methylpropan-1-one?
The IUPAC name of 1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]-2-methylpropan-1-one (CID 67803637) is 1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]-2-methylpropan-1-one is CC(C)C(=O)C1(C(OC2CCCCO2)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]-2-methylpropan-1-one?
The InChIKey is GEPGPFRRCPMGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2O3/c1-12(2)17(22)19(8-9-19)18(24-16-5-3-4-10-23-16)14-7-6-13(20)11-15(14)21/h6-7,11-12,16,18H,3-5,8-10H2,1-2H3.
What are the key properties of 1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]-2-methylpropan-1-one?
1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]-2-methylpropan-1-one has a molecular weight of 338.39 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]-2-methylpropan-1-one is sourced from PubChem (CID 67803637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).