1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone

C11H10F2OS — CID 63905359

IUPAC1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone
SMILESO=C(CSc1cc(F)ccc1F)C1CC1
InChIInChI=1S/C11H10F2OS/c12-8-3-4-9(13)11(5-8)15-6-10(14)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyVZKREXJJEHCBAY-UHFFFAOYSA-N
MW228.26 g/mol
LogP3.04
Rot. Bonds4

About 1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone

1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone (PubChem CID 63905359) has the molecular formula C11H10F2OS and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone
PubChem CID63905359
Molecular FormulaC11H10F2OS
Molecular Weight228.26 g/mol
Exact Mass228.04
IUPAC Name1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone
SMILESO=C(CSc1cc(F)ccc1F)C1CC1
InChIInChI=1S/C11H10F2OS/c12-8-3-4-9(13)11(5-8)15-6-10(14)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyVZKREXJJEHCBAY-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(3-fluorophenyl)sulfanyl-1-(4-methylcyclohexyl)ethanone
CID 66071426
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1-[(3S)-3-aminopyrrolidin-1-yl]-3-(2,5-difluorophenyl)sulfanylpropan-1-one
CID 99632440
N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 43519004
2-[4-[2-(2,5-difluorophenyl)sulfanylacetyl]piperazin-1-yl]-N-methylacetamide
CID 8870925
2-(2,5-difluorophenyl)sulfanyl-N'-methyl-N'-phenylacetohydrazide
CID 9480197
2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
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1-cyclopentyl-2-(2,5-difluorophenyl)sulfanylethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone?
The IUPAC name of 1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone (CID 63905359) is 1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone.
What is the SMILES notation for 1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone?
The canonical SMILES for 1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone is O=C(CSc1cc(F)ccc1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone?
The InChIKey is VZKREXJJEHCBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2OS/c12-8-3-4-9(13)11(5-8)15-6-10(14)7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone?
1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone has a molecular weight of 228.26 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone is sourced from PubChem (CID 63905359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).