N-(2,2-difluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C7H9F2NO3 — CID 130652672

IUPACN-(2,2-difluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCC(F)F)C1=COCCO1
InChIInChI=1S/C7H9F2NO3/c8-6(9)3-10-7(11)5-4-12-1-2-13-5/h4,6H,1-3H2,(H,10,11)
InChIKeyOXZUGVJKLNBGGR-UHFFFAOYSA-N
MW193.15 g/mol
LogP0.26
Rot. Bonds3

About N-(2,2-difluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(2,2-difluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 130652672) has the molecular formula C7H9F2NO3 and a molecular weight of 193.15 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID130652672
Molecular FormulaC7H9F2NO3
Molecular Weight193.15 g/mol
Exact Mass193.06
IUPAC NameN-(2,2-difluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(NCC(F)F)C1=COCCO1
InChIInChI=1S/C7H9F2NO3/c8-6(9)3-10-7(11)5-4-12-1-2-13-5/h4,6H,1-3H2,(H,10,11)
InChIKeyOXZUGVJKLNBGGR-UHFFFAOYSA-N
XLogP0.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 130652672) is N-(2,2-difluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(NCC(F)F)C1=COCCO1.
What is the InChIKey of N-(2,2-difluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is OXZUGVJKLNBGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO3/c8-6(9)3-10-7(11)5-4-12-1-2-13-5/h4,6H,1-3H2,(H,10,11).
What are the key properties of N-(2,2-difluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2,2-difluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 193.15 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 130652672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).