N-(1,4-dithian-2-ylmethyl)-2,2-difluoroacetamide

C7H11F2NOS2 — CID 103516065

IUPACN-(1,4-dithian-2-ylmethyl)-2,2-difluoroacetamide
SMILESO=C(NCC1CSCCS1)C(F)F
InChIInChI=1S/C7H11F2NOS2/c8-6(9)7(11)10-3-5-4-12-1-2-13-5/h5-6H,1-4H2,(H,10,11)
InChIKeyWGJUHVRUFNZTOM-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.22
Rot. Bonds3

About N-(1,4-dithian-2-ylmethyl)-2,2-difluoroacetamide

N-(1,4-dithian-2-ylmethyl)-2,2-difluoroacetamide (PubChem CID 103516065) has the molecular formula C7H11F2NOS2 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)-2,2-difluoroacetamide
PubChem CID103516065
Molecular FormulaC7H11F2NOS2
Molecular Weight227.30 g/mol
Exact Mass227.03
IUPAC NameN-(1,4-dithian-2-ylmethyl)-2,2-difluoroacetamide
SMILESO=C(NCC1CSCCS1)C(F)F
InChIInChI=1S/C7H11F2NOS2/c8-6(9)7(11)10-3-5-4-12-1-2-13-5/h5-6H,1-4H2,(H,10,11)
InChIKeyWGJUHVRUFNZTOM-UHFFFAOYSA-N
XLogP1.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)-2,2-difluoroacetamide?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)-2,2-difluoroacetamide (CID 103516065) is N-(1,4-dithian-2-ylmethyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)-2,2-difluoroacetamide is O=C(NCC1CSCCS1)C(F)F.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)-2,2-difluoroacetamide?
The InChIKey is WGJUHVRUFNZTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NOS2/c8-6(9)7(11)10-3-5-4-12-1-2-13-5/h5-6H,1-4H2,(H,10,11).
What are the key properties of N-(1,4-dithian-2-ylmethyl)-2,2-difluoroacetamide?
N-(1,4-dithian-2-ylmethyl)-2,2-difluoroacetamide has a molecular weight of 227.30 g/mol, XLogP of 1.22, 3 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-difluoroacetamide is sourced from PubChem (CID 103516065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).