2,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propan-1-one

C11H18F3NO — CID 176833179

IUPAC2,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propan-1-one
SMILESCC(C)(C)C(=O)C1CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO/c1-10(2,3)9(16)8-4-5-15(6-8)7-11(12,13)14/h8H,4-7H2,1-3H3
InChIKeyFDVAOEDNIVCDPF-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.49
Rot. Bonds2

About 2,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propan-1-one

2,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propan-1-one (PubChem CID 176833179) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 2,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propan-1-one
PubChem CID176833179
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name2,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propan-1-one
SMILESCC(C)(C)C(=O)C1CCN(CC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO/c1-10(2,3)9(16)8-4-5-15(6-8)7-11(12,13)14/h8H,4-7H2,1-3H3
InChIKeyFDVAOEDNIVCDPF-UHFFFAOYSA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propan-1-one (CID 176833179) is 2,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propan-1-one is CC(C)(C)C(=O)C1CCN(CC(F)(F)F)C1.
What is the InChIKey of 2,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propan-1-one?
The InChIKey is FDVAOEDNIVCDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-10(2,3)9(16)8-4-5-15(6-8)7-11(12,13)14/h8H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propan-1-one?
2,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propan-1-one has a molecular weight of 237.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propan-1-one is sourced from PubChem (CID 176833179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).