N-(3-amino-2,2-difluoropropyl)morpholine-4-carboxamide

C8H15F2N3O2 — CID 114383875

IUPACN-(3-amino-2,2-difluoropropyl)morpholine-4-carboxamide
SMILESNCC(F)(F)CNC(=O)N1CCOCC1
InChIInChI=1S/C8H15F2N3O2/c9-8(10,5-11)6-12-7(14)13-1-3-15-4-2-13/h1-6,11H2,(H,12,14)
InChIKeyKAJOYIMDPOEAMZ-UHFFFAOYSA-N
MW223.22 g/mol
LogP-0.38
Rot. Bonds3

About N-(3-amino-2,2-difluoropropyl)morpholine-4-carboxamide

N-(3-amino-2,2-difluoropropyl)morpholine-4-carboxamide (PubChem CID 114383875) has the molecular formula C8H15F2N3O2 and a molecular weight of 223.22 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)morpholine-4-carboxamide
PubChem CID114383875
Molecular FormulaC8H15F2N3O2
Molecular Weight223.22 g/mol
Exact Mass223.11
IUPAC NameN-(3-amino-2,2-difluoropropyl)morpholine-4-carboxamide
SMILESNCC(F)(F)CNC(=O)N1CCOCC1
InChIInChI=1S/C8H15F2N3O2/c9-8(10,5-11)6-12-7(14)13-1-3-15-4-2-13/h1-6,11H2,(H,12,14)
InChIKeyKAJOYIMDPOEAMZ-UHFFFAOYSA-N
XLogP-0.38
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)morpholine-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)morpholine-4-carboxamide (CID 114383875) is N-(3-amino-2,2-difluoropropyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)morpholine-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)morpholine-4-carboxamide is NCC(F)(F)CNC(=O)N1CCOCC1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)morpholine-4-carboxamide?
The InChIKey is KAJOYIMDPOEAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3O2/c9-8(10,5-11)6-12-7(14)13-1-3-15-4-2-13/h1-6,11H2,(H,12,14).
What are the key properties of N-(3-amino-2,2-difluoropropyl)morpholine-4-carboxamide?
N-(3-amino-2,2-difluoropropyl)morpholine-4-carboxamide has a molecular weight of 223.22 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)morpholine-4-carboxamide is sourced from PubChem (CID 114383875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).