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N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C12H12F4N2O — CID 47456948

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCCC1
InChIInChI=1S/C12H12F4N2O/c13-10-4-3-8(7-9(10)12(14,15)16)17-11(19)18-5-1-2-6-18/h3-4,7H,1-2,5-6H2,(H,17,19)
InChIKeyOLCUFTZXHHFNNY-UHFFFAOYSA-N
MW276.23 g/mol
LogP3.47
Rot. Bonds1

About N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 47456948) has the molecular formula C12H12F4N2O and a molecular weight of 276.23 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID47456948
Molecular FormulaC12H12F4N2O
Molecular Weight276.23 g/mol
Exact Mass276.09
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCCC1
InChIInChI=1S/C12H12F4N2O/c13-10-4-3-8(7-9(10)12(14,15)16)17-11(19)18-5-1-2-6-18/h3-4,7H,1-2,5-6H2,(H,17,19)
InChIKeyOLCUFTZXHHFNNY-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 47456948) is N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCCC1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is OLCUFTZXHHFNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O/c13-10-4-3-8(7-9(10)12(14,15)16)17-11(19)18-5-1-2-6-18/h3-4,7H,1-2,5-6H2,(H,17,19).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 276.23 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 47456948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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