1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one

C10H10F2O2S — CID 118841301

IUPAC1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one
SMILESCCC(=O)c1ccc(S)cc1OC(F)F
InChIInChI=1S/C10H10F2O2S/c1-2-8(13)7-4-3-6(15)5-9(7)14-10(11)12/h3-5,10,15H,2H2,1H3
InChIKeyOSQMVQQIVUKCGU-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.17
Rot. Bonds4

About 1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one

1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one (PubChem CID 118841301) has the molecular formula C10H10F2O2S and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one
PubChem CID118841301
Molecular FormulaC10H10F2O2S
Molecular Weight232.25 g/mol
Exact Mass232.04
IUPAC Name1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one
SMILESCCC(=O)c1ccc(S)cc1OC(F)F
InChIInChI=1S/C10H10F2O2S/c1-2-8(13)7-4-3-6(15)5-9(7)14-10(11)12/h3-5,10,15H,2H2,1H3
InChIKeyOSQMVQQIVUKCGU-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one
CID 118808993
1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one
CID 134628763
3-bromo-1-[2-(difluoromethoxy)-4-ethylphenyl]propan-1-one
CID 134624355
1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one
CID 118813012
1-[3-(difluoromethoxy)-4-iodophenyl]propan-1-one
CID 134622430
(E)-3-[4-(difluoromethoxy)-3-propanoylphenyl]prop-2-enoic acid
CID 118817522
3-bromo-1-[2-(difluoromethoxy)-4-methylsulfanylphenyl]propan-1-one
CID 134624351
ethyl 2-(difluoromethoxy)-6-propanoylbenzoate
CID 134643032
2-[2-(difluoromethoxy)-6-propanoylphenyl]acetonitrile
CID 118842906
1-[4-(difluoromethyl)-2-(trifluoromethoxy)phenyl]propan-1-one
CID 118851290
1-[2-(chloromethyl)-5-sulfanylphenyl]propan-1-one
CID 131030369
3-bromo-1-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]propan-1-one
CID 134625137

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one?
The IUPAC name of 1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one (CID 118841301) is 1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one.
What is the SMILES notation for 1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one?
The canonical SMILES for 1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one is CCC(=O)c1ccc(S)cc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one?
The InChIKey is OSQMVQQIVUKCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2S/c1-2-8(13)7-4-3-6(15)5-9(7)14-10(11)12/h3-5,10,15H,2H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one?
1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one has a molecular weight of 232.25 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-4-sulfanylphenyl]propan-1-one is sourced from PubChem (CID 118841301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).