1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-one

C8H12F2O2 — CID 103147030

IUPAC1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)F)C1CC1
InChIInChI=1S/C8H12F2O2/c9-8(10)5-12-4-3-7(11)6-1-2-6/h6,8H,1-5H2
InChIKeyNGUXRJVBOALWOW-UHFFFAOYSA-N
MW178.18 g/mol
LogP1.64
Rot. Bonds6

About 1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-one

1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-one (PubChem CID 103147030) has the molecular formula C8H12F2O2 and a molecular weight of 178.18 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-one
PubChem CID103147030
Molecular FormulaC8H12F2O2
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)F)C1CC1
InChIInChI=1S/C8H12F2O2/c9-8(10)5-12-4-3-7(11)6-1-2-6/h6,8H,1-5H2
InChIKeyNGUXRJVBOALWOW-UHFFFAOYSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-one?
The IUPAC name of 1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-one (CID 103147030) is 1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-one?
The canonical SMILES for 1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-one is O=C(CCOCC(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-one?
The InChIKey is NGUXRJVBOALWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2/c9-8(10)5-12-4-3-7(11)6-1-2-6/h6,8H,1-5H2.
What are the key properties of 1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-one?
1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-one has a molecular weight of 178.18 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-one is sourced from PubChem (CID 103147030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).