N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]formamide

C14H17F3N2O2 — CID 168650925

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]formamide
SMILESCC1CN(c2ccc(C(F)(F)F)cc2NC=O)CC(C)O1
InChIInChI=1S/C14H17F3N2O2/c1-9-6-19(7-10(2)21-9)13-4-3-11(14(15,16)17)5-12(13)18-8-20/h3-5,8-10H,6-7H2,1-2H3,(H,18,20)
InChIKeyNFVODOFEEVOELI-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.89
Rot. Bonds3

About N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]formamide

N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]formamide (PubChem CID 168650925) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]formamide
PubChem CID168650925
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]formamide
SMILESCC1CN(c2ccc(C(F)(F)F)cc2NC=O)CC(C)O1
InChIInChI=1S/C14H17F3N2O2/c1-9-6-19(7-10(2)21-9)13-4-3-11(14(15,16)17)5-12(13)18-8-20/h3-5,8-10H,6-7H2,1-2H3,(H,18,20)
InChIKeyNFVODOFEEVOELI-UHFFFAOYSA-N
XLogP2.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]formamide (CID 168650925) is N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]formamide is CC1CN(c2ccc(C(F)(F)F)cc2NC=O)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]formamide?
The InChIKey is NFVODOFEEVOELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9-6-19(7-10(2)21-9)13-4-3-11(14(15,16)17)5-12(13)18-8-20/h3-5,8-10H,6-7H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]formamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]formamide has a molecular weight of 302.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 168650925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).