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

C9H14F2O2 — CID 103147078

IUPAC1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)F)C1CCC1
InChIInChI=1S/C9H14F2O2/c10-9(11)6-13-5-4-8(12)7-2-1-3-7/h7,9H,1-6H2
InChIKeyVWCZIINVBMNYAS-UHFFFAOYSA-N
MW192.20 g/mol
LogP2.03
Rot. Bonds6

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

1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-one (PubChem CID 103147078) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-one
PubChem CID103147078
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)F)C1CCC1
InChIInChI=1S/C9H14F2O2/c10-9(11)6-13-5-4-8(12)7-2-1-3-7/h7,9H,1-6H2
InChIKeyVWCZIINVBMNYAS-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.03
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-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-one?
The IUPAC name of 1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-one (CID 103147078) is 1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-one.
What is the SMILES notation for 1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-one?
The canonical SMILES for 1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-one is O=C(CCOCC(F)F)C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-one?
The InChIKey is VWCZIINVBMNYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O2/c10-9(11)6-13-5-4-8(12)7-2-1-3-7/h7,9H,1-6H2.
What are the key properties of 1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-one?
1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-one has a molecular weight of 192.20 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2,2-difluoroethoxy)propan-1-one is sourced from PubChem (CID 103147078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).