4-methyl-4-(trifluoromethyl)pyrrolidin-2-one

C6H8F3NO — CID 105433259

IUPAC4-methyl-4-(trifluoromethyl)pyrrolidin-2-one
SMILESCC1(C(F)(F)F)CNC(=O)C1
InChIInChI=1S/C6H8F3NO/c1-5(6(7,8)9)2-4(11)10-3-5/h2-3H2,1H3,(H,10,11)
InChIKeyJZRBCVUMNBFMJC-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.07
Rot. Bonds

About 4-methyl-4-(trifluoromethyl)pyrrolidin-2-one

4-methyl-4-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 105433259) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 4-methyl-4-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-4-(trifluoromethyl)pyrrolidin-2-one
PubChem CID105433259
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name4-methyl-4-(trifluoromethyl)pyrrolidin-2-one
SMILESCC1(C(F)(F)F)CNC(=O)C1
InChIInChI=1S/C6H8F3NO/c1-5(6(7,8)9)2-4(11)10-3-5/h2-3H2,1H3,(H,10,11)
InChIKeyJZRBCVUMNBFMJC-UHFFFAOYSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of 4-methyl-4-(trifluoromethyl)pyrrolidin-2-one (CID 105433259) is 4-methyl-4-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-methyl-4-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 4-methyl-4-(trifluoromethyl)pyrrolidin-2-one is CC1(C(F)(F)F)CNC(=O)C1.
What is the InChIKey of 4-methyl-4-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is JZRBCVUMNBFMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-5(6(7,8)9)2-4(11)10-3-5/h2-3H2,1H3,(H,10,11).
What are the key properties of 4-methyl-4-(trifluoromethyl)pyrrolidin-2-one?
4-methyl-4-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 167.13 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 105433259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).