cyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C12H16F3NO — CID 106655348

IUPACcyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(C1=CCCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H16F3NO/c13-12(14,15)11(6-7-16-8-11)10(17)9-4-2-1-3-5-9/h4,16H,1-3,5-8H2
InChIKeyNLSWVNRYSXFESL-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.60
Rot. Bonds2

About cyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

cyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 106655348) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is cyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID106655348
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Namecyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(C1=CCCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H16F3NO/c13-12(14,15)11(6-7-16-8-11)10(17)9-4-2-1-3-5-9/h4,16H,1-3,5-8H2
InChIKeyNLSWVNRYSXFESL-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-Dichloro-3-fluorocyclohexa-1,4-dien-1-yl)-[3-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanone
CID 71251723
(4-Fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone
CID 123445741
Cycloocten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 106655347
Cyclohepten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 106655349
1-[3-(Trifluoromethyl)pyrrolidin-3-yl]oct-7-en-1-one
CID 107010873
4-Methyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]pent-4-en-1-one
CID 114477942
1-[3-(Trifluoromethyl)pyrrolidin-3-yl]hex-5-en-1-one
CID 116572887
3-Methylidene-1-[3-(trifluoromethyl)pyrrolidin-3-yl]pentan-1-one
CID 116572982
4,4-Dimethyl-2-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-one
CID 53689335
2-(3,3-Dimethylpyrrolidin-2-yl)-6-methylidenecyclohex-2-en-1-one
CID 53709339
4,4-Dimethyl-6-methylidene-2-pyrrolidin-3-ylcyclohex-2-en-1-one
CID 53815165
3-[2-(Ethylamino)ethyl]-4,4-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 53958598

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of cyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 106655348) is cyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for cyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for cyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C(C1=CCCCC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of cyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is NLSWVNRYSXFESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c13-12(14,15)11(6-7-16-8-11)10(17)9-4-2-1-3-5-9/h4,16H,1-3,5-8H2.
What are the key properties of cyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
cyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 247.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 106655348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).