1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone

C14H10F2OS — CID 43226528

IUPAC1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccccc1F)c1cccc(F)c1
InChIInChI=1S/C14H10F2OS/c15-11-5-3-4-10(8-11)13(17)9-18-14-7-2-1-6-12(14)16/h1-8H,9H2
InChIKeyDQDAKZVLBUHLOH-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.94
Rot. Bonds4

About 1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone

1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone (PubChem CID 43226528) has the molecular formula C14H10F2OS and a molecular weight of 264.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone
PubChem CID43226528
Molecular FormulaC14H10F2OS
Molecular Weight264.30 g/mol
Exact Mass264.04
IUPAC Name1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone
SMILESO=C(CSc1ccccc1F)c1cccc(F)c1
InChIInChI=1S/C14H10F2OS/c15-11-5-3-4-10(8-11)13(17)9-18-14-7-2-1-6-12(14)16/h1-8H,9H2
InChIKeyDQDAKZVLBUHLOH-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)sulfanyl-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543307
1-(3-fluorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43226526
1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 66054204
2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43412043
2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone
CID 54255060
[2-(3-fluorophenyl)-2-oxoethyl] thiocyanate
CID 86245147
N-[4-[2-(2-fluorophenyl)sulfanylacetyl]phenyl]benzamide
CID 7489443
1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43226534
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
2-(2,4-difluorophenyl)sulfanyl-1-(4-hydroxyphenyl)ethanone
CID 43226491
2-(3,4-dimethoxyphenyl)sulfanyl-1-(3-fluorophenyl)ethanone
CID 91880258
1-(3-fluorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone
CID 43226523

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone (CID 43226528) is 1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone is O=C(CSc1ccccc1F)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone?
The InChIKey is DQDAKZVLBUHLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2OS/c15-11-5-3-4-10(8-11)13(17)9-18-14-7-2-1-6-12(14)16/h1-8H,9H2.
What are the key properties of 1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone?
1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone has a molecular weight of 264.30 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(2-fluorophenyl)sulfanylethanone is sourced from PubChem (CID 43226528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).