1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone

C15H10F4O2S — CID 55393499

IUPAC1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccc(F)cc1F)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H10F4O2S/c16-10-3-6-14(12(17)7-10)22-8-13(20)9-1-4-11(5-2-9)21-15(18)19/h1-7,15H,8H2
InChIKeyIXIPQCYVKSNMJQ-UHFFFAOYSA-N
MW330.30 g/mol
LogP4.54
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone

1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone (PubChem CID 55393499) has the molecular formula C15H10F4O2S and a molecular weight of 330.30 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone
PubChem CID55393499
Molecular FormulaC15H10F4O2S
Molecular Weight330.30 g/mol
Exact Mass330.03
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccc(F)cc1F)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H10F4O2S/c16-10-3-6-14(12(17)7-10)22-8-13(20)9-1-4-11(5-2-9)21-15(18)19/h1-7,15H,8H2
InChIKeyIXIPQCYVKSNMJQ-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone
CID 43226491
N-[4-[2-(2,4-difluorophenyl)sulfanylacetyl]phenyl]-2-methylpropanamide
CID 8837263
2-(2-bromo-5-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanone
CID 114968117
1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone
CID 55463619
2-(2,4-difluorophenyl)sulfanylacetate
CID 7129456
2-(2,4-difluorophenyl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43224824
1-[4-(difluoromethoxy)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 78766338
2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone
CID 43224827
2-(2,4-difluorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724718
[4-(difluoromethoxy)phenyl]-(2,6-difluorophenyl)methanone
CID 114972892
1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone
CID 43226528
[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 38387477

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone (CID 55393499) is 1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone is O=C(CSc1ccc(F)cc1F)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone?
The InChIKey is IXIPQCYVKSNMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O2S/c16-10-3-6-14(12(17)7-10)22-8-13(20)9-1-4-11(5-2-9)21-15(18)19/h1-7,15H,8H2.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone?
1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone has a molecular weight of 330.30 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-(2,4-difluorophenyl)sulfanylethanone is sourced from PubChem (CID 55393499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).