1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone

C9H12F4O2 — CID 103473846

IUPAC1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESO=C(COCC(F)(F)C(F)F)C1CCC1
InChIInChI=1S/C9H12F4O2/c10-8(11)9(12,13)5-15-4-7(14)6-2-1-3-6/h6,8H,1-5H2
InChIKeyIISLAPGEHMDCNK-UHFFFAOYSA-N
MW228.18 g/mol
LogP2.27
Rot. Bonds6

About 1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone

1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone (PubChem CID 103473846) has the molecular formula C9H12F4O2 and a molecular weight of 228.18 g/mol. Its IUPAC name is 1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone.

Molecular Properties

Compound Name1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone
PubChem CID103473846
Molecular FormulaC9H12F4O2
Molecular Weight228.18 g/mol
Exact Mass228.08
IUPAC Name1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESO=C(COCC(F)(F)C(F)F)C1CCC1
InChIInChI=1S/C9H12F4O2/c10-8(11)9(12,13)5-15-4-7(14)6-2-1-3-6/h6,8H,1-5H2
InChIKeyIISLAPGEHMDCNK-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1,2,2,3,3-Hexafluoropropoxy)-5-methylhexan-2-one
CID 88370719
1-(1,1,2,2,3,3-Hexafluoropropoxy)-5-methylhexan-2-one;hydrochloride
CID 88370722
1-(3,3-Difluorocyclobutyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 170420576
3-Methyl-1-(2,2,3,3,3-pentafluoropropoxy)pentan-2-one
CID 80447610
3-Methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one
CID 80447796
4-Methyl-1-(2,2,2-trifluoroethoxy)hexan-2-one
CID 103214031
1-(Oxan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103214034
1-Cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103214126
6,6,6-Trifluoro-1-(2,2,2-trifluoroethoxy)hexan-2-one
CID 103214316
4-Ethyl-1-(2,2,2-trifluoroethoxy)hexan-2-one
CID 103214335
1-Cyclobutyl-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214424
4-Ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
CID 103473638

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The IUPAC name of 1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone (CID 103473846) is 1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone.
What is the SMILES notation for 1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The canonical SMILES for 1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone is O=C(COCC(F)(F)C(F)F)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The InChIKey is IISLAPGEHMDCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F4O2/c10-8(11)9(12,13)5-15-4-7(14)6-2-1-3-6/h6,8H,1-5H2.
What are the key properties of 1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone has a molecular weight of 228.18 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(2,2,3,3-tetrafluoropropoxy)ethanone is sourced from PubChem (CID 103473846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).