N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-2-carboxamide

C9H16F2N2O3 — CID 107479279

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-2-carboxamide
SMILESO=C(C1CNCCO1)N(CCO)CC(F)F
InChIInChI=1S/C9H16F2N2O3/c10-8(11)6-13(2-3-14)9(15)7-5-12-1-4-16-7/h7-8,12,14H,1-6H2
InChIKeySZCLQQPAGNYHQG-UHFFFAOYSA-N
MW238.23 g/mol
LogP-0.94
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-2-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-2-carboxamide (PubChem CID 107479279) has the molecular formula C9H16F2N2O3 and a molecular weight of 238.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-2-carboxamide
PubChem CID107479279
Molecular FormulaC9H16F2N2O3
Molecular Weight238.23 g/mol
Exact Mass238.11
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-2-carboxamide
SMILESO=C(C1CNCCO1)N(CCO)CC(F)F
InChIInChI=1S/C9H16F2N2O3/c10-8(11)6-13(2-3-14)9(15)7-5-12-1-4-16-7/h7-8,12,14H,1-6H2
InChIKeySZCLQQPAGNYHQG-UHFFFAOYSA-N
XLogP-0.94
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-2-carboxamide (CID 107479279) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-2-carboxamide is O=C(C1CNCCO1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-2-carboxamide?
The InChIKey is SZCLQQPAGNYHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O3/c10-8(11)6-13(2-3-14)9(15)7-5-12-1-4-16-7/h7-8,12,14H,1-6H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-2-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-2-carboxamide has a molecular weight of 238.23 g/mol, XLogP of -0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-2-carboxamide is sourced from PubChem (CID 107479279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).