2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide

C17H22F4N2O3 — CID 51118828

IUPAC2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)CC(C)O1
InChIInChI=1S/C17H22F4N2O3/c1-11-7-23(8-12(2)26-11)16(24)22-14-5-3-4-13(6-14)9-25-10-17(20,21)15(18)19/h3-6,11-12,15H,7-10H2,1-2H3,(H,22,24)
InChIKeyPRRUNZHSHRJXRC-UHFFFAOYSA-N
MW378.37 g/mol
LogP3.74
Rot. Bonds6

About 2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide

2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide (PubChem CID 51118828) has the molecular formula C17H22F4N2O3 and a molecular weight of 378.37 g/mol. Its IUPAC name is 2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide
PubChem CID51118828
Molecular FormulaC17H22F4N2O3
Molecular Weight378.37 g/mol
Exact Mass378.16
IUPAC Name2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)CC(C)O1
InChIInChI=1S/C17H22F4N2O3/c1-11-7-23(8-12(2)26-11)16(24)22-14-5-3-4-13(6-14)9-25-10-17(20,21)15(18)19/h3-6,11-12,15H,7-10H2,1-2H3,(H,22,24)
InChIKeyPRRUNZHSHRJXRC-UHFFFAOYSA-N
XLogP3.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 86877132
4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide
CID 51118830
2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118883
2-(furan-2-yl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 86962608
(2R,3S)-2-methyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120925437
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
tert-butyl N-[1-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]carbamoyl]cyclopentyl]carbamate
CID 86883194
1-(1-phenylpiperidin-3-yl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 86960333
(2R,6R)-2,6-dimethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 94148495
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide (CID 51118828) is 2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide is CC1CN(C(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide?
The InChIKey is PRRUNZHSHRJXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F4N2O3/c1-11-7-23(8-12(2)26-11)16(24)22-14-5-3-4-13(6-14)9-25-10-17(20,21)15(18)19/h3-6,11-12,15H,7-10H2,1-2H3,(H,22,24).
What are the key properties of 2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide?
2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide has a molecular weight of 378.37 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 51118828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).