2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]-7,7-dimethylbicyclo[2.2.1]heptane

C13H17F5 — CID 58981547

IUPAC2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]-7,7-dimethylbicyclo[2.2.1]heptane
SMILESCC1(C)C2CCC1C(CC(=C(F)F)C(F)(F)F)C2
InChIInChI=1S/C13H17F5/c1-12(2)8-3-4-9(12)7(5-8)6-10(11(14)15)13(16,17)18/h7-9H,3-6H2,1-2H3
InChIKeyQQCCUZOOISTYLZ-UHFFFAOYSA-N
MW268.27 g/mol
LogP5.16
Rot. Bonds2

About 2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]-7,7-dimethylbicyclo[2.2.1]heptane

2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]-7,7-dimethylbicyclo[2.2.1]heptane (PubChem CID 58981547) has the molecular formula C13H17F5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]-7,7-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]-7,7-dimethylbicyclo[2.2.1]heptane
PubChem CID58981547
Molecular FormulaC13H17F5
Molecular Weight268.27 g/mol
Exact Mass268.13
IUPAC Name2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]-7,7-dimethylbicyclo[2.2.1]heptane
SMILESCC1(C)C2CCC1C(CC(=C(F)F)C(F)(F)F)C2
InChIInChI=1S/C13H17F5/c1-12(2)8-3-4-9(12)7(5-8)6-10(11(14)15)13(16,17)18/h7-9H,3-6H2,1-2H3
InChIKeyQQCCUZOOISTYLZ-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.27
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]-7,7-dimethylbicyclo[2.2.1]heptane with MolForge

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Related Compounds

Camphene
CID 6616
(-)-Camphene
CID 440966
D-Camphene
CID 92221
2,2,6,6-Tetramethyl-3-methylidenebicyclo[2.2.1]heptane
CID 46173196
Norbornane, 2,2-dimethyl-5-methylene-
CID 101717
Bicyclo[2.2.1]heptane, 1,3,3-trimethyl-2-methylene-
CID 12829237
(+)-beta-Fenchene
CID 12309841
(r)-Camphene
CID 23616291
(s)-Camphene
CID 23616290
Bicyclo[2.2.1]heptane, 1,3,3-trimethyl-2-methylene-, (1S,4R)-
CID 12037804
(1R,4R)-(-)-camphene
CID 12252974
(1R,4S)-1,3,3-trimethyl-2-methylidenebicyclo[2.2.1]heptane
CID 11435040

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]-7,7-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]-7,7-dimethylbicyclo[2.2.1]heptane (CID 58981547) is 2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]-7,7-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]-7,7-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]-7,7-dimethylbicyclo[2.2.1]heptane is CC1(C)C2CCC1C(CC(=C(F)F)C(F)(F)F)C2.
What is the InChIKey of 2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]-7,7-dimethylbicyclo[2.2.1]heptane?
The InChIKey is QQCCUZOOISTYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F5/c1-12(2)8-3-4-9(12)7(5-8)6-10(11(14)15)13(16,17)18/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]-7,7-dimethylbicyclo[2.2.1]heptane?
2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]-7,7-dimethylbicyclo[2.2.1]heptane has a molecular weight of 268.27 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]-7,7-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 58981547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).