2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone

C14H20F3NO — CID 116572759

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
SMILESO=C(CC1CC2CCC1C2)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C14H20F3NO/c15-14(16,17)13(3-4-18-8-13)12(19)7-11-6-9-1-2-10(11)5-9/h9-11,18H,1-8H2
InChIKeyRWMPXYGUCBGNOA-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.92
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone

2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone (PubChem CID 116572759) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
PubChem CID116572759
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
SMILESO=C(CC1CC2CCC1C2)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C14H20F3NO/c15-14(16,17)13(3-4-18-8-13)12(19)7-11-6-9-1-2-10(11)5-9/h9-11,18H,1-8H2
InChIKeyRWMPXYGUCBGNOA-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone (CID 116572759) is 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone is O=C(CC1CC2CCC1C2)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The InChIKey is RWMPXYGUCBGNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c15-14(16,17)13(3-4-18-8-13)12(19)7-11-6-9-1-2-10(11)5-9/h9-11,18H,1-8H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone has a molecular weight of 275.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 116572759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).