3-(trifluoromethyl)bicyclo[2.2.1]heptane-2,5-dicarbonitrile

C10H9F3N2 — CID 143087396

IUPAC3-(trifluoromethyl)bicyclo[2.2.1]heptane-2,5-dicarbonitrile
SMILESN#CC1CC2CC1C(C(F)(F)F)C2C#N
InChIInChI=1S/C10H9F3N2/c11-10(12,13)9-7-2-5(8(9)4-15)1-6(7)3-14/h5-9H,1-2H2
InChIKeyFYIDZGDRQQFLFH-UHFFFAOYSA-N
MW214.19 g/mol
LogP2.48
Rot. Bonds

About 3-(trifluoromethyl)bicyclo[2.2.1]heptane-2,5-dicarbonitrile

3-(trifluoromethyl)bicyclo[2.2.1]heptane-2,5-dicarbonitrile (PubChem CID 143087396) has the molecular formula C10H9F3N2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 3-(trifluoromethyl)bicyclo[2.2.1]heptane-2,5-dicarbonitrile.

Molecular Properties

Compound Name3-(trifluoromethyl)bicyclo[2.2.1]heptane-2,5-dicarbonitrile
PubChem CID143087396
Molecular FormulaC10H9F3N2
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Name3-(trifluoromethyl)bicyclo[2.2.1]heptane-2,5-dicarbonitrile
SMILESN#CC1CC2CC1C(C(F)(F)F)C2C#N
InChIInChI=1S/C10H9F3N2/c11-10(12,13)9-7-2-5(8(9)4-15)1-6(7)3-14/h5-9H,1-2H2
InChIKeyFYIDZGDRQQFLFH-UHFFFAOYSA-N
XLogP2.48
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Norbornane-2-carbonitrile
CID 102231
Propionitrile, 3-(3-cyano-2-norbornyl)-
CID 297749
2-{Bicyclo[2.2.1]heptan-2-yl}acetonitrile
CID 260932
Bicyclo[2.2.1]heptane-2-carbonitrile, 3,5-dimethyl-
CID 113634
3,3-Bis(trifluoromethyl)bicyclo(2.2.1)heptane-2,2-dicarbonitrile
CID 134125
(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonitrile
CID 11378477
(1R,2S,4S)-bicyclo[2.2.1]heptane-2-carbonitrile
CID 10964478
(1S,2S,4R)-bicyclo[2.2.1]heptane-2-carbonitrile
CID 11126237
Bicyclo[2.2.1]heptane-2,5-dicarbonitrile
CID 15745024
2-[(1S,2S,3R,4R)-3-(cyanomethyl)-2-bicyclo[2.2.1]heptanyl]acetonitrile
CID 101944378
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetonitrile
CID 131851939
6-Cyano-2-norbornanepropanenitrile
CID 168299933

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)bicyclo[2.2.1]heptane-2,5-dicarbonitrile?
The IUPAC name of 3-(trifluoromethyl)bicyclo[2.2.1]heptane-2,5-dicarbonitrile (CID 143087396) is 3-(trifluoromethyl)bicyclo[2.2.1]heptane-2,5-dicarbonitrile.
What is the SMILES notation for 3-(trifluoromethyl)bicyclo[2.2.1]heptane-2,5-dicarbonitrile?
The canonical SMILES for 3-(trifluoromethyl)bicyclo[2.2.1]heptane-2,5-dicarbonitrile is N#CC1CC2CC1C(C(F)(F)F)C2C#N.
What is the InChIKey of 3-(trifluoromethyl)bicyclo[2.2.1]heptane-2,5-dicarbonitrile?
The InChIKey is FYIDZGDRQQFLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2/c11-10(12,13)9-7-2-5(8(9)4-15)1-6(7)3-14/h5-9H,1-2H2.
What are the key properties of 3-(trifluoromethyl)bicyclo[2.2.1]heptane-2,5-dicarbonitrile?
3-(trifluoromethyl)bicyclo[2.2.1]heptane-2,5-dicarbonitrile has a molecular weight of 214.19 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)bicyclo[2.2.1]heptane-2,5-dicarbonitrile is sourced from PubChem (CID 143087396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).