1-[1-(difluoromethyl)cyclopropyl]propan-1-one

C7H10F2O — CID 121391930

IUPAC1-[1-(difluoromethyl)cyclopropyl]propan-1-one
SMILESCCC(=O)C1(C(F)F)CC1
InChIInChI=1S/C7H10F2O/c1-2-5(10)7(3-4-7)6(8)9/h6H,2-4H2,1H3
InChIKeySLCDLXVCWXPLEH-UHFFFAOYSA-N
MW148.15 g/mol
LogP2.01
Rot. Bonds3

About 1-[1-(difluoromethyl)cyclopropyl]propan-1-one

1-[1-(difluoromethyl)cyclopropyl]propan-1-one (PubChem CID 121391930) has the molecular formula C7H10F2O and a molecular weight of 148.15 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)cyclopropyl]propan-1-one.

Molecular Properties

Compound Name1-[1-(difluoromethyl)cyclopropyl]propan-1-one
PubChem CID121391930
Molecular FormulaC7H10F2O
Molecular Weight148.15 g/mol
Exact Mass148.07
IUPAC Name1-[1-(difluoromethyl)cyclopropyl]propan-1-one
SMILESCCC(=O)C1(C(F)F)CC1
InChIInChI=1S/C7H10F2O/c1-2-5(10)7(3-4-7)6(8)9/h6H,2-4H2,1H3
InChIKeySLCDLXVCWXPLEH-UHFFFAOYSA-N
XLogP2.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.15
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]propan-1-one?
The IUPAC name of 1-[1-(difluoromethyl)cyclopropyl]propan-1-one (CID 121391930) is 1-[1-(difluoromethyl)cyclopropyl]propan-1-one.
What is the SMILES notation for 1-[1-(difluoromethyl)cyclopropyl]propan-1-one?
The canonical SMILES for 1-[1-(difluoromethyl)cyclopropyl]propan-1-one is CCC(=O)C1(C(F)F)CC1.
What is the InChIKey of 1-[1-(difluoromethyl)cyclopropyl]propan-1-one?
The InChIKey is SLCDLXVCWXPLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O/c1-2-5(10)7(3-4-7)6(8)9/h6H,2-4H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)cyclopropyl]propan-1-one?
1-[1-(difluoromethyl)cyclopropyl]propan-1-one has a molecular weight of 148.15 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)cyclopropyl]propan-1-one is sourced from PubChem (CID 121391930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).