1-[1-(1,1-difluoroethyl)cyclopropyl]propan-2-one

C8H12F2O — CID 170393291

IUPAC1-[1-(1,1-difluoroethyl)cyclopropyl]propan-2-one
SMILESCC(=O)CC1(C(C)(F)F)CC1
InChIInChI=1S/C8H12F2O/c1-6(11)5-8(3-4-8)7(2,9)10/h3-5H2,1-2H3
InChIKeyWEJWCJYEUYCTSB-UHFFFAOYSA-N
MW162.18 g/mol
LogP2.40
Rot. Bonds3

About 1-[1-(1,1-difluoroethyl)cyclopropyl]propan-2-one

1-[1-(1,1-difluoroethyl)cyclopropyl]propan-2-one (PubChem CID 170393291) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 1-[1-(1,1-difluoroethyl)cyclopropyl]propan-2-one.

Molecular Properties

Compound Name1-[1-(1,1-difluoroethyl)cyclopropyl]propan-2-one
PubChem CID170393291
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name1-[1-(1,1-difluoroethyl)cyclopropyl]propan-2-one
SMILESCC(=O)CC1(C(C)(F)F)CC1
InChIInChI=1S/C8H12F2O/c1-6(11)5-8(3-4-8)7(2,9)10/h3-5H2,1-2H3
InChIKeyWEJWCJYEUYCTSB-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,1-difluoroethyl)cyclopropyl]propan-2-one?
The IUPAC name of 1-[1-(1,1-difluoroethyl)cyclopropyl]propan-2-one (CID 170393291) is 1-[1-(1,1-difluoroethyl)cyclopropyl]propan-2-one.
What is the SMILES notation for 1-[1-(1,1-difluoroethyl)cyclopropyl]propan-2-one?
The canonical SMILES for 1-[1-(1,1-difluoroethyl)cyclopropyl]propan-2-one is CC(=O)CC1(C(C)(F)F)CC1.
What is the InChIKey of 1-[1-(1,1-difluoroethyl)cyclopropyl]propan-2-one?
The InChIKey is WEJWCJYEUYCTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c1-6(11)5-8(3-4-8)7(2,9)10/h3-5H2,1-2H3.
What are the key properties of 1-[1-(1,1-difluoroethyl)cyclopropyl]propan-2-one?
1-[1-(1,1-difluoroethyl)cyclopropyl]propan-2-one has a molecular weight of 162.18 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,1-difluoroethyl)cyclopropyl]propan-2-one is sourced from PubChem (CID 170393291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).