3,3-dimethyl-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one

C11H18F3NO — CID 176706798

IUPAC3,3-dimethyl-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one
SMILESCC(C)(C)CC(=O)N1CC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO/c1-10(2,3)6-9(16)15-5-4-8(7-15)11(12,13)14/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyGZWUVQYDWSFECS-MRVPVSSYSA-N
MW237.26 g/mol
LogP2.83
Rot. Bonds1

About 3,3-dimethyl-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one

3,3-dimethyl-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 176706798) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one
PubChem CID176706798
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name3,3-dimethyl-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one
SMILESCC(C)(C)CC(=O)N1CC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO/c1-10(2,3)6-9(16)15-5-4-8(7-15)11(12,13)14/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyGZWUVQYDWSFECS-MRVPVSSYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 3,3-dimethyl-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one (CID 176706798) is 3,3-dimethyl-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 3,3-dimethyl-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one is CC(C)(C)CC(=O)N1CC[C@@H](C(F)(F)F)C1.
What is the InChIKey of 3,3-dimethyl-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is GZWUVQYDWSFECS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-10(2,3)6-9(16)15-5-4-8(7-15)11(12,13)14/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of 3,3-dimethyl-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one?
3,3-dimethyl-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 237.26 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 176706798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).