N-(2,2-difluoro-3-hydroxypropyl)morpholine-3-carboxamide

C8H14F2N2O3 — CID 106176795

IUPACN-(2,2-difluoro-3-hydroxypropyl)morpholine-3-carboxamide
SMILESO=C(NCC(F)(F)CO)C1COCCN1
InChIInChI=1S/C8H14F2N2O3/c9-8(10,5-13)4-12-7(14)6-3-15-2-1-11-6/h6,11,13H,1-5H2,(H,12,14)
InChIKeyWIMDLDJJHHUQIY-UHFFFAOYSA-N
MW224.21 g/mol
LogP-1.28
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)morpholine-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)morpholine-3-carboxamide (PubChem CID 106176795) has the molecular formula C8H14F2N2O3 and a molecular weight of 224.21 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)morpholine-3-carboxamide
PubChem CID106176795
Molecular FormulaC8H14F2N2O3
Molecular Weight224.21 g/mol
Exact Mass224.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)morpholine-3-carboxamide
SMILESO=C(NCC(F)(F)CO)C1COCCN1
InChIInChI=1S/C8H14F2N2O3/c9-8(10,5-13)4-12-7(14)6-3-15-2-1-11-6/h6,11,13H,1-5H2,(H,12,14)
InChIKeyWIMDLDJJHHUQIY-UHFFFAOYSA-N
XLogP-1.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)morpholine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)morpholine-3-carboxamide (CID 106176795) is N-(2,2-difluoro-3-hydroxypropyl)morpholine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)morpholine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)morpholine-3-carboxamide is O=C(NCC(F)(F)CO)C1COCCN1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)morpholine-3-carboxamide?
The InChIKey is WIMDLDJJHHUQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O3/c9-8(10,5-13)4-12-7(14)6-3-15-2-1-11-6/h6,11,13H,1-5H2,(H,12,14).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)morpholine-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)morpholine-3-carboxamide has a molecular weight of 224.21 g/mol, XLogP of -1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)morpholine-3-carboxamide is sourced from PubChem (CID 106176795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).