1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine;formamide

C14H19F3N2O — CID 175101882

IUPAC1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine;formamide
SMILESCC1CC(c2ccc(C(F)(F)F)cc2)CN1C.NC=O
InChIInChI=1S/C13H16F3N.CH3NO/c1-9-7-11(8-17(9)2)10-3-5-12(6-4-10)13(14,15)16;2-1-3/h3-6,9,11H,7-8H2,1-2H3;1H,(H2,2,3)
InChIKeyNBBWMPFWUPJRQY-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.61
Rot. Bonds1

About 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine;formamide

1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine;formamide (PubChem CID 175101882) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine;formamide.

Molecular Properties

Compound Name1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine;formamide
PubChem CID175101882
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine;formamide
SMILESCC1CC(c2ccc(C(F)(F)F)cc2)CN1C.NC=O
InChIInChI=1S/C13H16F3N.CH3NO/c1-9-7-11(8-17(9)2)10-3-5-12(6-4-10)13(14,15)16;2-1-3/h3-6,9,11H,7-8H2,1-2H3;1H,(H2,2,3)
InChIKeyNBBWMPFWUPJRQY-UHFFFAOYSA-N
XLogP2.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine;formamide?
The IUPAC name of 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine;formamide (CID 175101882) is 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine;formamide.
What is the SMILES notation for 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine;formamide?
The canonical SMILES for 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine;formamide is CC1CC(c2ccc(C(F)(F)F)cc2)CN1C.NC=O.
What is the InChIKey of 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine;formamide?
The InChIKey is NBBWMPFWUPJRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N.CH3NO/c1-9-7-11(8-17(9)2)10-3-5-12(6-4-10)13(14,15)16;2-1-3/h3-6,9,11H,7-8H2,1-2H3;1H,(H2,2,3).
What are the key properties of 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine;formamide?
1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine;formamide has a molecular weight of 288.31 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine;formamide is sourced from PubChem (CID 175101882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).