2,2-difluoro-3-(4-methylideneoxolan-3-yl)-1-phenylpropan-1-one

C14H14F2O2 — CID 10015070

IUPAC2,2-difluoro-3-(4-methylideneoxolan-3-yl)-1-phenylpropan-1-one
SMILESC=C1COCC1CC(F)(F)C(=O)c1ccccc1
InChIInChI=1S/C14H14F2O2/c1-10-8-18-9-12(10)7-14(15,16)13(17)11-5-3-2-4-6-11/h2-6,12H,1,7-9H2
InChIKeyBRVCZLORSULKDR-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.10
Rot. Bonds4

About 2,2-difluoro-3-(4-methylideneoxolan-3-yl)-1-phenylpropan-1-one

2,2-difluoro-3-(4-methylideneoxolan-3-yl)-1-phenylpropan-1-one (PubChem CID 10015070) has the molecular formula C14H14F2O2 and a molecular weight of 252.26 g/mol. Its IUPAC name is 2,2-difluoro-3-(4-methylideneoxolan-3-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2,2-difluoro-3-(4-methylideneoxolan-3-yl)-1-phenylpropan-1-one
PubChem CID10015070
Molecular FormulaC14H14F2O2
Molecular Weight252.26 g/mol
Exact Mass252.10
IUPAC Name2,2-difluoro-3-(4-methylideneoxolan-3-yl)-1-phenylpropan-1-one
SMILESC=C1COCC1CC(F)(F)C(=O)c1ccccc1
InChIInChI=1S/C14H14F2O2/c1-10-8-18-9-12(10)7-14(15,16)13(17)11-5-3-2-4-6-11/h2-6,12H,1,7-9H2
InChIKeyBRVCZLORSULKDR-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Methoxy-4'-(trifluoromethyl)valerophenone
CID 527103
1-Phenyl-2-(trifluoromethoxy)ethan-1-one
CID 13765566
Ethyl 3-oxo-3-phenyl-2-(trifluoromethyl)propanoate
CID 15001700
2-methyl-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one
CID 506535
(Difluoromethoxy)acetophenone
CID 17995907
1-(4-Fluorophenyl)-2-(oxolan-2-yl)ethan-1-one
CID 60798809
2-(4-Trifluoromethylphenyl)-7-oxabicyclo[3.3.0] oct-1-en-3-one
CID 11254166
2-Methoxy-1-(4'-trifluoromethyl)phenylethanone
CID 10192675
(2,4-Difluorophenyl)-(oxan-4-yl)methanone
CID 62905461
Ethyl 2-(4-acetylphenyl)-2,2-difluoroacetate
CID 68193922
2-(But-3-en-2-yloxy)-1-(2-fluorophenyl)ethanone
CID 70498765
2,2-Difluoro-1-(4-methylphenyl)-2-(oxan-4-yl)ethanone
CID 155929879

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(4-methylideneoxolan-3-yl)-1-phenylpropan-1-one?
The IUPAC name of 2,2-difluoro-3-(4-methylideneoxolan-3-yl)-1-phenylpropan-1-one (CID 10015070) is 2,2-difluoro-3-(4-methylideneoxolan-3-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 2,2-difluoro-3-(4-methylideneoxolan-3-yl)-1-phenylpropan-1-one?
The canonical SMILES for 2,2-difluoro-3-(4-methylideneoxolan-3-yl)-1-phenylpropan-1-one is C=C1COCC1CC(F)(F)C(=O)c1ccccc1.
What is the InChIKey of 2,2-difluoro-3-(4-methylideneoxolan-3-yl)-1-phenylpropan-1-one?
The InChIKey is BRVCZLORSULKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2O2/c1-10-8-18-9-12(10)7-14(15,16)13(17)11-5-3-2-4-6-11/h2-6,12H,1,7-9H2.
What are the key properties of 2,2-difluoro-3-(4-methylideneoxolan-3-yl)-1-phenylpropan-1-one?
2,2-difluoro-3-(4-methylideneoxolan-3-yl)-1-phenylpropan-1-one has a molecular weight of 252.26 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(4-methylideneoxolan-3-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 10015070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).