N-(4,4,4-trifluorobutan-2-yl)pyrrolidine-1-carboxamide

C9H15F3N2O — CID 104854735

IUPACN-(4,4,4-trifluorobutan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(CC(F)(F)F)NC(=O)N1CCCC1
InChIInChI=1S/C9H15F3N2O/c1-7(6-9(10,11)12)13-8(15)14-4-2-3-5-14/h7H,2-6H2,1H3,(H,13,15)
InChIKeyRKAASXGWEUGWLD-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.13
Rot. Bonds2

About N-(4,4,4-trifluorobutan-2-yl)pyrrolidine-1-carboxamide

N-(4,4,4-trifluorobutan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 104854735) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutan-2-yl)pyrrolidine-1-carboxamide
PubChem CID104854735
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-(4,4,4-trifluorobutan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(CC(F)(F)F)NC(=O)N1CCCC1
InChIInChI=1S/C9H15F3N2O/c1-7(6-9(10,11)12)13-8(15)14-4-2-3-5-14/h7H,2-6H2,1H3,(H,13,15)
InChIKeyRKAASXGWEUGWLD-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4,4,4-trifluorobutan-2-yl)pyrrolidine-1-carboxamide (CID 104854735) is N-(4,4,4-trifluorobutan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4,4,4-trifluorobutan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4,4,4-trifluorobutan-2-yl)pyrrolidine-1-carboxamide is CC(CC(F)(F)F)NC(=O)N1CCCC1.
What is the InChIKey of N-(4,4,4-trifluorobutan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is RKAASXGWEUGWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-7(6-9(10,11)12)13-8(15)14-4-2-3-5-14/h7H,2-6H2,1H3,(H,13,15).
What are the key properties of N-(4,4,4-trifluorobutan-2-yl)pyrrolidine-1-carboxamide?
N-(4,4,4-trifluorobutan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 224.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 104854735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).