N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-4-carboxamide

C9H16F2N2O3 — CID 107479086

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-4-carboxamide
SMILESO=C(N1CCOCC1)N(CCO)CC(F)F
InChIInChI=1S/C9H16F2N2O3/c10-8(11)7-13(1-4-14)9(15)12-2-5-16-6-3-12/h8,14H,1-7H2
InChIKeyIHYXBPDDKMNCLG-UHFFFAOYSA-N
MW238.23 g/mol
LogP-0.00
Rot. Bonds4

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-4-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-4-carboxamide (PubChem CID 107479086) 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-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-4-carboxamide
PubChem CID107479086
Molecular FormulaC9H16F2N2O3
Molecular Weight238.23 g/mol
Exact Mass238.11
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-4-carboxamide
SMILESO=C(N1CCOCC1)N(CCO)CC(F)F
InChIInChI=1S/C9H16F2N2O3/c10-8(11)7-13(1-4-14)9(15)12-2-5-16-6-3-12/h8,14H,1-7H2
InChIKeyIHYXBPDDKMNCLG-UHFFFAOYSA-N
XLogP-0.00
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 5-0.00
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-(2-hydroxyethyl)morpholine-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-4-carboxamide (CID 107479086) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-4-carboxamide is O=C(N1CCOCC1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-4-carboxamide?
The InChIKey is IHYXBPDDKMNCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O3/c10-8(11)7-13(1-4-14)9(15)12-2-5-16-6-3-12/h8,14H,1-7H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-4-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)morpholine-4-carboxamide has a molecular weight of 238.23 g/mol, XLogP of -0.00, 4 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-(2-hydroxyethyl)morpholine-4-carboxamide is sourced from PubChem (CID 107479086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).