1-[4-(1,1-difluoroprop-2-enoxy)phenyl]ethanone

C11H10F2O2 — CID 162419086

IUPAC1-[4-(1,1-difluoroprop-2-enoxy)phenyl]ethanone
SMILESC=CC(F)(F)Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C11H10F2O2/c1-3-11(12,13)15-10-6-4-9(5-7-10)8(2)14/h3-7H,1H2,2H3
InChIKeySNQJUHISQNQDMA-UHFFFAOYSA-N
MW212.19 g/mol
LogP3.05
Rot. Bonds4

About 1-[4-(1,1-difluoroprop-2-enoxy)phenyl]ethanone

1-[4-(1,1-difluoroprop-2-enoxy)phenyl]ethanone (PubChem CID 162419086) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is 1-[4-(1,1-difluoroprop-2-enoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1,1-difluoroprop-2-enoxy)phenyl]ethanone
PubChem CID162419086
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name1-[4-(1,1-difluoroprop-2-enoxy)phenyl]ethanone
SMILESC=CC(F)(F)Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C11H10F2O2/c1-3-11(12,13)15-10-6-4-9(5-7-10)8(2)14/h3-7H,1H2,2H3
InChIKeySNQJUHISQNQDMA-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 53.05
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

1-(4-ethenoxyphenyl)ethanone
CID 14448263
1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
CID 52561273
1-[4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]ethanone
CID 176900313
4-(4-acetylphenoxy)benzoic acid
CID 60723234
(4-acetylphenyl) but-3-enoate
CID 139889155
(Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one
CID 103970826
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
1-(4-sulfanyloxyphenyl)ethanone
CID 87171019
1-(4-acetylphenyl)ethanone;methane
CID 159515104
(4-acetylphenyl) carbamate;ethane
CID 163253714
(4-acetylphenyl) 4-(trifluoromethyl)benzoate
CID 71484812
4-acetyl-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 2108389

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoroprop-2-enoxy)phenyl]ethanone?
The IUPAC name of 1-[4-(1,1-difluoroprop-2-enoxy)phenyl]ethanone (CID 162419086) is 1-[4-(1,1-difluoroprop-2-enoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1,1-difluoroprop-2-enoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-(1,1-difluoroprop-2-enoxy)phenyl]ethanone is C=CC(F)(F)Oc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-(1,1-difluoroprop-2-enoxy)phenyl]ethanone?
The InChIKey is SNQJUHISQNQDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c1-3-11(12,13)15-10-6-4-9(5-7-10)8(2)14/h3-7H,1H2,2H3.
What are the key properties of 1-[4-(1,1-difluoroprop-2-enoxy)phenyl]ethanone?
1-[4-(1,1-difluoroprop-2-enoxy)phenyl]ethanone has a molecular weight of 212.19 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoroprop-2-enoxy)phenyl]ethanone is sourced from PubChem (CID 162419086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).