N-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide

C8H14F2N2O2 — CID 115738619

IUPACN-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide
SMILESCN(CC(F)F)C(=O)C1CNCCO1
InChIInChI=1S/C8H14F2N2O2/c1-12(5-7(9)10)8(13)6-4-11-2-3-14-6/h6-7,11H,2-5H2,1H3
InChIKeyGTYVRSODEXIVPJ-UHFFFAOYSA-N
MW208.21 g/mol
LogP-0.30
Rot. Bonds3

About N-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide

N-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide (PubChem CID 115738619) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide
PubChem CID115738619
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC NameN-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide
SMILESCN(CC(F)F)C(=O)C1CNCCO1
InChIInChI=1S/C8H14F2N2O2/c1-12(5-7(9)10)8(13)6-4-11-2-3-14-6/h6-7,11H,2-5H2,1H3
InChIKeyGTYVRSODEXIVPJ-UHFFFAOYSA-N
XLogP-0.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.30
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)-N-methylmorpholine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide (CID 115738619) is N-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide is CN(CC(F)F)C(=O)C1CNCCO1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide?
The InChIKey is GTYVRSODEXIVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c1-12(5-7(9)10)8(13)6-4-11-2-3-14-6/h6-7,11H,2-5H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide?
N-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide has a molecular weight of 208.21 g/mol, XLogP of -0.30, 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)-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 115738619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).