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

C13H18F3NO — CID 106655349

IUPACcyclohepten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(C1=CCCCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H18F3NO/c14-13(15,16)12(7-8-17-9-12)11(18)10-5-3-1-2-4-6-10/h5,17H,1-4,6-9H2
InChIKeyBAYZKIVYEIZEPE-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.99
Rot. Bonds2

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

cyclohepten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 106655349) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is cyclohepten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID106655349
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Namecyclohepten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(C1=CCCCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H18F3NO/c14-13(15,16)12(7-8-17-9-12)11(18)10-5-3-1-2-4-6-10/h5,17H,1-4,6-9H2
InChIKeyBAYZKIVYEIZEPE-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Fluorocyclohexen-1-yl)-pyrrolidin-3-ylmethanone
CID 123445741
Cycloocten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 106655347
Cyclohexen-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 106655348
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 cyclohepten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of cyclohepten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 106655349) is cyclohepten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for cyclohepten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for cyclohepten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C(C1=CCCCCC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of cyclohepten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is BAYZKIVYEIZEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c14-13(15,16)12(7-8-17-9-12)11(18)10-5-3-1-2-4-6-10/h5,17H,1-4,6-9H2.
What are the key properties of cyclohepten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
cyclohepten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 261.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 106655349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).