N-[2-(1,1-dioxothian-4-yl)ethyl]-2,2,3,3,3-pentafluoropropanamide

C10H14F5NO3S — CID 163828198

IUPACN-[2-(1,1-dioxothian-4-yl)ethyl]-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(NCCC1CCS(=O)(=O)CC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5NO3S/c11-9(12,10(13,14)15)8(17)16-4-1-7-2-5-20(18,19)6-3-7/h7H,1-6H2,(H,16,17)
InChIKeyDHGUEFKDJFUKPQ-UHFFFAOYSA-N
MW323.28 g/mol
LogP1.52
Rot. Bonds4

About N-[2-(1,1-dioxothian-4-yl)ethyl]-2,2,3,3,3-pentafluoropropanamide

N-[2-(1,1-dioxothian-4-yl)ethyl]-2,2,3,3,3-pentafluoropropanamide (PubChem CID 163828198) has the molecular formula C10H14F5NO3S and a molecular weight of 323.28 g/mol. Its IUPAC name is N-[2-(1,1-dioxothian-4-yl)ethyl]-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxothian-4-yl)ethyl]-2,2,3,3,3-pentafluoropropanamide
PubChem CID163828198
Molecular FormulaC10H14F5NO3S
Molecular Weight323.28 g/mol
Exact Mass323.06
IUPAC NameN-[2-(1,1-dioxothian-4-yl)ethyl]-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(NCCC1CCS(=O)(=O)CC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5NO3S/c11-9(12,10(13,14)15)8(17)16-4-1-7-2-5-20(18,19)6-3-7/h7H,1-6H2,(H,16,17)
InChIKeyDHGUEFKDJFUKPQ-UHFFFAOYSA-N
XLogP1.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-cyclohexylsulfonyl-5,5,5-trifluoro-4-(trifluoromethyl)pentyl]acetamide
CID 59067567
N-[5,5-bis(trifluoromethylsulfonyl)pentyl]-2-methylbutanamide
CID 89707095
N-(cyclohexylmethyl)-2-fluoro-3,3-bis(trifluoromethylsulfonyl)propanamide
CID 90268324
(2R)-2-methyl-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 130294141
N-[1-cyclohexylsulfonyl-5,5,5-trifluoro-4-(trifluoromethyl)pentyl]acetamide;methane
CID 161599596
N-(cyclohexylmethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
CID 53330349
2-methyl-2-(4,4,4-trifluorobutylsulfonyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide
CID 53330682
N-(2-cyclohexylethyl)-2-methyl-2-(4,4,4-trifluorobutylsulfonyl)propanamide
CID 53330861
2-[1-(2,2,3,3,4,4,4-heptafluorobutanoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592699
N-methyl-2-[1-(2,2,3,3,3-pentafluoropropanoyl)piperidin-4-yl]sulfonylacetamide
CID 90592773
2,2-difluoro-N-(thian-4-ylmethyl)acetamide
CID 103516063
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,3,3-tetrafluoropropanamide
CID 103732551

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxothian-4-yl)ethyl]-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-[2-(1,1-dioxothian-4-yl)ethyl]-2,2,3,3,3-pentafluoropropanamide (CID 163828198) is N-[2-(1,1-dioxothian-4-yl)ethyl]-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-[2-(1,1-dioxothian-4-yl)ethyl]-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-[2-(1,1-dioxothian-4-yl)ethyl]-2,2,3,3,3-pentafluoropropanamide is O=C(NCCC1CCS(=O)(=O)CC1)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[2-(1,1-dioxothian-4-yl)ethyl]-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is DHGUEFKDJFUKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F5NO3S/c11-9(12,10(13,14)15)8(17)16-4-1-7-2-5-20(18,19)6-3-7/h7H,1-6H2,(H,16,17).
What are the key properties of N-[2-(1,1-dioxothian-4-yl)ethyl]-2,2,3,3,3-pentafluoropropanamide?
N-[2-(1,1-dioxothian-4-yl)ethyl]-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 323.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxothian-4-yl)ethyl]-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 163828198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).