N-(2,3-difluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H11F5N2O — CID 63710231

IUPACN-(2,3-difluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1F)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H11F5N2O/c13-7-2-1-3-8(9(7)14)19-10(20)11(12(15,16)17)4-5-18-6-11/h1-3,18H,4-6H2,(H,19,20)
InChIKeyBHCBOXOHNAQTLB-UHFFFAOYSA-N
MW294.22 g/mol
LogP2.45
Rot. Bonds2

About N-(2,3-difluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2,3-difluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710231) has the molecular formula C12H11F5N2O and a molecular weight of 294.22 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710231
Molecular FormulaC12H11F5N2O
Molecular Weight294.22 g/mol
Exact Mass294.08
IUPAC NameN-(2,3-difluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1F)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H11F5N2O/c13-7-2-1-3-8(9(7)14)19-10(20)11(12(15,16)17)4-5-18-6-11/h1-3,18H,4-6H2,(H,19,20)
InChIKeyBHCBOXOHNAQTLB-UHFFFAOYSA-N
XLogP2.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,3-difluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710231) is N-(2,3-difluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,3-difluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(Nc1cccc(F)c1F)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2,3-difluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is BHCBOXOHNAQTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5N2O/c13-7-2-1-3-8(9(7)14)19-10(20)11(12(15,16)17)4-5-18-6-11/h1-3,18H,4-6H2,(H,19,20).
What are the key properties of N-(2,3-difluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2,3-difluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 294.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).