N-(3,3,3-trifluoropropyl)morpholine-2-carboxamide

C8H13F3N2O2 — CID 63227052

IUPACN-(3,3,3-trifluoropropyl)morpholine-2-carboxamide
SMILESO=C(NCCC(F)(F)F)C1CNCCO1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)1-2-13-7(14)6-5-12-3-4-15-6/h6,12H,1-5H2,(H,13,14)
InChIKeyKWIKIHJALYQWDN-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.04
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)morpholine-2-carboxamide

N-(3,3,3-trifluoropropyl)morpholine-2-carboxamide (PubChem CID 63227052) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)morpholine-2-carboxamide
PubChem CID63227052
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC NameN-(3,3,3-trifluoropropyl)morpholine-2-carboxamide
SMILESO=C(NCCC(F)(F)F)C1CNCCO1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)1-2-13-7(14)6-5-12-3-4-15-6/h6,12H,1-5H2,(H,13,14)
InChIKeyKWIKIHJALYQWDN-UHFFFAOYSA-N
XLogP0.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)morpholine-2-carboxamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)morpholine-2-carboxamide (CID 63227052) is N-(3,3,3-trifluoropropyl)morpholine-2-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)morpholine-2-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)morpholine-2-carboxamide is O=C(NCCC(F)(F)F)C1CNCCO1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)morpholine-2-carboxamide?
The InChIKey is KWIKIHJALYQWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)1-2-13-7(14)6-5-12-3-4-15-6/h6,12H,1-5H2,(H,13,14).
What are the key properties of N-(3,3,3-trifluoropropyl)morpholine-2-carboxamide?
N-(3,3,3-trifluoropropyl)morpholine-2-carboxamide has a molecular weight of 226.20 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)morpholine-2-carboxamide is sourced from PubChem (CID 63227052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).