N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide

C9H12F6N2O — CID 11521966

IUPACN-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6N2O/c1-7(8(10,11)12,9(13,14)15)16-6(18)17-4-2-3-5-17/h2-5H2,1H3,(H,16,18)
InChIKeyLDGBSUIKSLMWRG-UHFFFAOYSA-N
MW278.20 g/mol
LogP2.68
Rot. Bonds1

About N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide

N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 11521966) has the molecular formula C9H12F6N2O and a molecular weight of 278.20 g/mol. Its IUPAC name is N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide
PubChem CID11521966
Molecular FormulaC9H12F6N2O
Molecular Weight278.20 g/mol
Exact Mass278.09
IUPAC NameN-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6N2O/c1-7(8(10,11)12,9(13,14)15)16-6(18)17-4-2-3-5-17/h2-5H2,1H3,(H,16,18)
InChIKeyLDGBSUIKSLMWRG-UHFFFAOYSA-N
XLogP2.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide (CID 11521966) is N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide is CC(NC(=O)N1CCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is LDGBSUIKSLMWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6N2O/c1-7(8(10,11)12,9(13,14)15)16-6(18)17-4-2-3-5-17/h2-5H2,1H3,(H,16,18).
What are the key properties of N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide?
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 278.20 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 11521966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).