1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone

C12H13F2NOS — CID 62053520

IUPAC1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone
SMILESO=C(CN1CCSCC1)c1cc(F)ccc1F
InChIInChI=1S/C12H13F2NOS/c13-9-1-2-11(14)10(7-9)12(16)8-15-3-5-17-6-4-15/h1-2,7H,3-6,8H2
InChIKeyVNYCANVFYLHFRQ-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.20
Rot. Bonds3

About 1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone

1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone (PubChem CID 62053520) has the molecular formula C12H13F2NOS and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone
PubChem CID62053520
Molecular FormulaC12H13F2NOS
Molecular Weight257.30 g/mol
Exact Mass257.07
IUPAC Name1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone
SMILESO=C(CN1CCSCC1)c1cc(F)ccc1F
InChIInChI=1S/C12H13F2NOS/c13-9-1-2-11(14)10(7-9)12(16)8-15-3-5-17-6-4-15/h1-2,7H,3-6,8H2
InChIKeyVNYCANVFYLHFRQ-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-2-thiomorpholin-4-ylethanone
CID 62051168
1-(2,5-difluorophenyl)-2-morpholin-4-ylethanone
CID 43219461
4-[2-(2,5-difluorophenyl)-2-oxoethyl]piperazine-1-carbaldehyde
CID 82123258
2-(4-aminopiperidin-1-yl)-1-(2,5-difluorophenyl)ethanone
CID 62029769
1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43219785
1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 62206765
1-(2,5-dichlorophenyl)-2-(1,4-thiazepan-4-yl)ethanone
CID 55210788
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(2,5-difluorophenyl)ethanone
CID 43228979
4-[2-(2,5-difluorophenyl)-2-oxoethyl]-1-methyl-1,4-diazepan-2-one
CID 102889579
1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
CID 43227135
1-(2,5-difluorophenyl)-2-(2-methylmorpholin-4-yl)ethanone
CID 43794572
1-(2,5-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102960397

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone?
The IUPAC name of 1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone (CID 62053520) is 1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone is O=C(CN1CCSCC1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone?
The InChIKey is VNYCANVFYLHFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NOS/c13-9-1-2-11(14)10(7-9)12(16)8-15-3-5-17-6-4-15/h1-2,7H,3-6,8H2.
What are the key properties of 1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone?
1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone has a molecular weight of 257.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-thiomorpholin-4-ylethanone is sourced from PubChem (CID 62053520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).