N-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)morpholine-4-carboxamide

C11H18F4N2O2 — CID 71046466

IUPACN-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)morpholine-4-carboxamide
SMILESCC(F)(F)C(C)(NC(=O)N1CCOCC1)C(C)(F)F
InChIInChI=1S/C11H18F4N2O2/c1-9(10(2,12)13,11(3,14)15)16-8(18)17-4-6-19-7-5-17/h4-7H2,1-3H3,(H,16,18)
InChIKeyKCPDOFOIGUUIDS-UHFFFAOYSA-N
MW286.27 g/mol
LogP2.10
Rot. Bonds3

About N-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)morpholine-4-carboxamide

N-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)morpholine-4-carboxamide (PubChem CID 71046466) has the molecular formula C11H18F4N2O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is N-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)morpholine-4-carboxamide
PubChem CID71046466
Molecular FormulaC11H18F4N2O2
Molecular Weight286.27 g/mol
Exact Mass286.13
IUPAC NameN-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)morpholine-4-carboxamide
SMILESCC(F)(F)C(C)(NC(=O)N1CCOCC1)C(C)(F)F
InChIInChI=1S/C11H18F4N2O2/c1-9(10(2,12)13,11(3,14)15)16-8(18)17-4-6-19-7-5-17/h4-7H2,1-3H3,(H,16,18)
InChIKeyKCPDOFOIGUUIDS-UHFFFAOYSA-N
XLogP2.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)morpholine-4-carboxamide?
The IUPAC name of N-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)morpholine-4-carboxamide (CID 71046466) is N-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)morpholine-4-carboxamide is CC(F)(F)C(C)(NC(=O)N1CCOCC1)C(C)(F)F.
What is the InChIKey of N-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)morpholine-4-carboxamide?
The InChIKey is KCPDOFOIGUUIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F4N2O2/c1-9(10(2,12)13,11(3,14)15)16-8(18)17-4-6-19-7-5-17/h4-7H2,1-3H3,(H,16,18).
What are the key properties of N-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)morpholine-4-carboxamide?
N-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)morpholine-4-carboxamide has a molecular weight of 286.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)morpholine-4-carboxamide is sourced from PubChem (CID 71046466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).