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

C14H20F3NO — CID 106655347

IUPACcycloocten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(C1=CCCCCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C14H20F3NO/c15-14(16,17)13(8-9-18-10-13)12(19)11-6-4-2-1-3-5-7-11/h6,18H,1-5,7-10H2
InChIKeyKSADFRQXCJATCQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.38
Rot. Bonds2

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

cycloocten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 106655347) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is cycloocten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Namecycloocten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID106655347
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Namecycloocten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(C1=CCCCCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C14H20F3NO/c15-14(16,17)13(8-9-18-10-13)12(19)11-6-4-2-1-3-5-7-11/h6,18H,1-5,7-10H2
InChIKeyKSADFRQXCJATCQ-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone
CID 123445741
Cyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 106655348
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
2,4,4-Trimethyl-6-methylidene-3-pyrrolidin-3-ylcyclohex-2-en-1-one
CID 53978484
5,5-Dimethyl-3-pyrrolidin-3-ylcyclohex-2-en-1-one
CID 12199512
Cycloocten-1-yl(pyrrolidin-3-yl)methanone
CID 106655303
Cyclohexen-1-yl(pyrrolidin-3-yl)methanone
CID 106655304

Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of cycloocten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 106655347) is cycloocten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for cycloocten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for cycloocten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C(C1=CCCCCCC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of cycloocten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is KSADFRQXCJATCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c15-14(16,17)13(8-9-18-10-13)12(19)11-6-4-2-1-3-5-7-11/h6,18H,1-5,7-10H2.
What are the key properties of cycloocten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
cycloocten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 275.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 106655347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).