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

C11H13F5 — CID 90886815

IUPAC2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]bicyclo[2.2.1]heptane
SMILESFC(F)=C(CC1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C11H13F5/c12-10(13)9(11(14,15)16)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2
InChIKeyHGNJFZSIWKKUJX-UHFFFAOYSA-N
MW240.21 g/mol
LogP4.53
Rot. Bonds2

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

2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]bicyclo[2.2.1]heptane (PubChem CID 90886815) has the molecular formula C11H13F5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]bicyclo[2.2.1]heptane
PubChem CID90886815
Molecular FormulaC11H13F5
Molecular Weight240.21 g/mol
Exact Mass240.09
IUPAC Name2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]bicyclo[2.2.1]heptane
SMILESFC(F)=C(CC1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C11H13F5/c12-10(13)9(11(14,15)16)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2
InChIKeyHGNJFZSIWKKUJX-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Tricyclo(4.2.1.0(sup 2,5))nonane, 2,3-didehydro-3,4,4-trifluoro-
CID 379836
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)bicyclo[2.2.1]heptane
CID 89413784
bicyclo[2.2.1]heptane, 2-[(1Z)-1,2,3,3,3-pentafluoro-1-propenyl]-, (1R,2R,4S)-
CID 643687
2-(2,2-Difluorovinyl)bicyclo[2.2.1]heptane
CID 11643971
2-(2,2-Difluoroethenyl)-3-fluorobicyclo[2.2.1]heptane
CID 20759708
7,7-Dimethyl-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane
CID 21053463
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)bicyclo[2.2.1]heptane
CID 21328832
2-(1,1,2,2-Tetrafluoroethyl)bicyclo[2.2.1]heptane
CID 22389788
2,3-Bis(trifluoromethyl)bicyclo[2.2.1]heptane
CID 57062642
2,3-Difluoro-2,3-bis(trifluoromethyl) bicyclo[2.2.1] heptane
CID 57067055
5,6-Bis(ethenyl)-1,2,2,4,7,7-hexafluorobicyclo[2.2.1]heptane
CID 57792871
6-Ethenyl-1,2,2,3,3,4,5,5,7,7-decafluorobicyclo[2.2.1]heptane
CID 57792885

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]bicyclo[2.2.1]heptane (CID 90886815) is 2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]bicyclo[2.2.1]heptane is FC(F)=C(CC1CC2CCC1C2)C(F)(F)F.
What is the InChIKey of 2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]bicyclo[2.2.1]heptane?
The InChIKey is HGNJFZSIWKKUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5/c12-10(13)9(11(14,15)16)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2.
What are the key properties of 2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]bicyclo[2.2.1]heptane?
2-[3,3-difluoro-2-(trifluoromethyl)prop-2-enyl]bicyclo[2.2.1]heptane has a molecular weight of 240.21 g/mol, XLogP of 4.53, 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]bicyclo[2.2.1]heptane is sourced from PubChem (CID 90886815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).