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

C19H24F2O3 — CID 67803439

IUPAC1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]butan-1-one
SMILESCCCC(=O)C1(C(OC2CCCCO2)c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H24F2O3/c1-2-5-16(22)19(9-10-19)18(24-17-6-3-4-11-23-17)14-8-7-13(20)12-15(14)21/h7-8,12,17-18H,2-6,9-11H2,1H3
InChIKeyOBURUDSXKGXVOV-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.70
Rot. Bonds7

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

1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]butan-1-one (PubChem CID 67803439) 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]butan-1-one.

Molecular Properties

Compound Name1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]butan-1-one
PubChem CID67803439
Molecular FormulaC19H24F2O3
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC Name1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]butan-1-one
SMILESCCCC(=O)C1(C(OC2CCCCO2)c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H24F2O3/c1-2-5-16(22)19(9-10-19)18(24-17-6-3-4-11-23-17)14-8-7-13(20)12-15(14)21/h7-8,12,17-18H,2-6,9-11H2,1H3
InChIKeyOBURUDSXKGXVOV-UHFFFAOYSA-N
XLogP4.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]butan-1-one?
The IUPAC name of 1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]butan-1-one (CID 67803439) is 1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]butan-1-one.
What is the SMILES notation for 1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]butan-1-one?
The canonical SMILES for 1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]butan-1-one is CCCC(=O)C1(C(OC2CCCCO2)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]butan-1-one?
The InChIKey is OBURUDSXKGXVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2O3/c1-2-5-16(22)19(9-10-19)18(24-17-6-3-4-11-23-17)14-8-7-13(20)12-15(14)21/h7-8,12,17-18H,2-6,9-11H2,1H3.
What are the key properties of 1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]butan-1-one?
1-[1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropyl]butan-1-one has a molecular weight of 338.39 g/mol, XLogP of 4.70, 7 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]butan-1-one is sourced from PubChem (CID 67803439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).