N-(1,4-dithian-2-ylmethyl)-2,2,3,3-tetrafluoropropanamide

C8H11F4NOS2 — CID 103747301

IUPACN-(1,4-dithian-2-ylmethyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCC1CSCCS1)C(F)(F)C(F)F
InChIInChI=1S/C8H11F4NOS2/c9-6(10)8(11,12)7(14)13-3-5-4-15-1-2-16-5/h5-6H,1-4H2,(H,13,14)
InChIKeyXCZUQDDEZSCIBC-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.85
Rot. Bonds4

About N-(1,4-dithian-2-ylmethyl)-2,2,3,3-tetrafluoropropanamide

N-(1,4-dithian-2-ylmethyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103747301) has the molecular formula C8H11F4NOS2 and a molecular weight of 277.31 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103747301
Molecular FormulaC8H11F4NOS2
Molecular Weight277.31 g/mol
Exact Mass277.02
IUPAC NameN-(1,4-dithian-2-ylmethyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCC1CSCCS1)C(F)(F)C(F)F
InChIInChI=1S/C8H11F4NOS2/c9-6(10)8(11,12)7(14)13-3-5-4-15-1-2-16-5/h5-6H,1-4H2,(H,13,14)
InChIKeyXCZUQDDEZSCIBC-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)-2,2,3,3-tetrafluoropropanamide (CID 103747301) is N-(1,4-dithian-2-ylmethyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)-2,2,3,3-tetrafluoropropanamide is O=C(NCC1CSCCS1)C(F)(F)C(F)F.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is XCZUQDDEZSCIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4NOS2/c9-6(10)8(11,12)7(14)13-3-5-4-15-1-2-16-5/h5-6H,1-4H2,(H,13,14).
What are the key properties of N-(1,4-dithian-2-ylmethyl)-2,2,3,3-tetrafluoropropanamide?
N-(1,4-dithian-2-ylmethyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 277.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dithian-2-ylmethyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103747301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).