1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one

C14H12F2O2S — CID 114973227

IUPAC1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H12F2O2S/c15-14(16)18-11-4-1-3-10(9-11)13(17)7-6-12-5-2-8-19-12/h1-5,8-9,14H,6-7H2
InChIKeyIMSFRDZEVCSAIL-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.16
Rot. Bonds6

About 1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one

1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one (PubChem CID 114973227) has the molecular formula C14H12F2O2S and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one
PubChem CID114973227
Molecular FormulaC14H12F2O2S
Molecular Weight282.31 g/mol
Exact Mass282.05
IUPAC Name1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H12F2O2S/c15-14(16)18-11-4-1-3-10(9-11)13(17)7-6-12-5-2-8-19-12/h1-5,8-9,14H,6-7H2
InChIKeyIMSFRDZEVCSAIL-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 2675191
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
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1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol
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CID 63774976
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CID 79486262
1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973274
(E)-1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylprop-2-en-1-one
CID 6211488
3-amino-1-[3-(difluoromethoxy)phenyl]butan-1-one
CID 81463565
1-(3-amino-4-chlorophenyl)-3-thiophen-2-ylpropan-1-one
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(3-acetylphenyl) 4-thiophen-2-ylbutanoate
CID 86975484
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CID 105124806

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one (CID 114973227) is 1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one is O=C(CCc1cccs1)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is IMSFRDZEVCSAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2S/c15-14(16)18-11-4-1-3-10(9-11)13(17)7-6-12-5-2-8-19-12/h1-5,8-9,14H,6-7H2.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one?
1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 282.31 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 114973227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).