3-(2-hydroxypropyl)-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide

C11H19F3N2O3 — CID 91660791

IUPAC3-(2-hydroxypropyl)-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide
SMILESCC(O)CC1COCCN1C(=O)NCCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-8(17)6-9-7-19-5-4-16(9)10(18)15-3-2-11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18)
InChIKeyFRTCKJRFLSIIHS-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.12
Rot. Bonds4

About 3-(2-hydroxypropyl)-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide

3-(2-hydroxypropyl)-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide (PubChem CID 91660791) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide
PubChem CID91660791
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name3-(2-hydroxypropyl)-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide
SMILESCC(O)CC1COCCN1C(=O)NCCC(F)(F)F
InChIInChI=1S/C11H19F3N2O3/c1-8(17)6-9-7-19-5-4-16(9)10(18)15-3-2-11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18)
InChIKeyFRTCKJRFLSIIHS-UHFFFAOYSA-N
XLogP1.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide?
The IUPAC name of 3-(2-hydroxypropyl)-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide (CID 91660791) is 3-(2-hydroxypropyl)-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide.
What is the SMILES notation for 3-(2-hydroxypropyl)-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide?
The canonical SMILES for 3-(2-hydroxypropyl)-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide is CC(O)CC1COCCN1C(=O)NCCC(F)(F)F.
What is the InChIKey of 3-(2-hydroxypropyl)-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide?
The InChIKey is FRTCKJRFLSIIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3/c1-8(17)6-9-7-19-5-4-16(9)10(18)15-3-2-11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18).
What are the key properties of 3-(2-hydroxypropyl)-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide?
3-(2-hydroxypropyl)-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide is sourced from PubChem (CID 91660791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).