7,7-dimethyl-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane

C12H15F5 — CID 21053463

IUPAC7,7-dimethyl-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane
SMILESCC1(C)C2CCC1C(C(=C(F)F)C(F)(F)F)C2
InChIInChI=1S/C12H15F5/c1-11(2)6-3-4-8(11)7(5-6)9(10(13)14)12(15,16)17/h6-8H,3-5H2,1-2H3
InChIKeyPSJYPTYENTYBGL-UHFFFAOYSA-N
MW254.24 g/mol
LogP4.77
Rot. Bonds1

About 7,7-dimethyl-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane

7,7-dimethyl-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane (PubChem CID 21053463) has the molecular formula C12H15F5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 7,7-dimethyl-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7,7-dimethyl-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane
PubChem CID21053463
Molecular FormulaC12H15F5
Molecular Weight254.24 g/mol
Exact Mass254.11
IUPAC Name7,7-dimethyl-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane
SMILESCC1(C)C2CCC1C(C(=C(F)F)C(F)(F)F)C2
InChIInChI=1S/C12H15F5/c1-11(2)6-3-4-8(11)7(5-6)9(10(13)14)12(15,16)17/h6-8H,3-5H2,1-2H3
InChIKeyPSJYPTYENTYBGL-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7,7-dimethyl-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane with MolForge

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Launch Full Analysis

Related Compounds

bicyclo[2.2.1]heptane, 2-[(1Z)-1,2,3,3,3-pentafluoro-1-propenyl]-, (1R,2R,4S)-
CID 643687
2-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane
CID 20760918
2,2-Difluoro-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane
CID 20770025
2,2-Difluoro-3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 20770026
2,2-Difluoro-3-methyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane
CID 20770044
2-[3,3-Difluoro-2-(trifluoromethyl)prop-2-enyl]-7,7-dimethylbicyclo[2.2.1]heptane
CID 58981547
2,2-Difluoro-3,7-dimethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane
CID 71131732
2-[1,1,3,3,3-Pentafluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 90781490
2-[3,3-Difluoro-2-(trifluoromethyl)prop-2-enyl]bicyclo[2.2.1]heptane
CID 90886815
2-(1,1,3,3,3-Pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane
CID 91459533
2-(2,3-Difluoro-3,4-dimethylpent-4-en-2-yl)bicyclo[2.2.1]heptane
CID 91603404
5,6-Ditert-butyl-2-(trifluoromethyl)-2-[5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-2-yl]bicyclo[2.2.1]heptane
CID 138600460

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane?
The IUPAC name of 7,7-dimethyl-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane (CID 21053463) is 7,7-dimethyl-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 7,7-dimethyl-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane?
The canonical SMILES for 7,7-dimethyl-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane is CC1(C)C2CCC1C(C(=C(F)F)C(F)(F)F)C2.
What is the InChIKey of 7,7-dimethyl-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane?
The InChIKey is PSJYPTYENTYBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5/c1-11(2)6-3-4-8(11)7(5-6)9(10(13)14)12(15,16)17/h6-8H,3-5H2,1-2H3.
What are the key properties of 7,7-dimethyl-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane?
7,7-dimethyl-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane has a molecular weight of 254.24 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 21053463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).