7-propan-2-ylidene-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene

C12H10F6 — CID 13300003

IUPAC7-propan-2-ylidene-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
SMILESCC(C)=C1C2C=CC1C(C(F)(F)F)=C2C(F)(F)F
InChIInChI=1S/C12H10F6/c1-5(2)8-6-3-4-7(8)10(12(16,17)18)9(6)11(13,14)15/h3-4,6-7H,1-2H3
InChIKeyFIUGRIKKBXFKJH-UHFFFAOYSA-N
MW268.20 g/mol
LogP4.56
Rot. Bonds

About 7-propan-2-ylidene-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene

7-propan-2-ylidene-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene (PubChem CID 13300003) has the molecular formula C12H10F6 and a molecular weight of 268.20 g/mol. Its IUPAC name is 7-propan-2-ylidene-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name7-propan-2-ylidene-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
PubChem CID13300003
Molecular FormulaC12H10F6
Molecular Weight268.20 g/mol
Exact Mass268.07
IUPAC Name7-propan-2-ylidene-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
SMILESCC(C)=C1C2C=CC1C(C(F)(F)F)=C2C(F)(F)F
InChIInChI=1S/C12H10F6/c1-5(2)8-6-3-4-7(8)10(12(16,17)18)9(6)11(13,14)15/h3-4,6-7H,1-2H3
InChIKeyFIUGRIKKBXFKJH-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-propan-2-ylidene-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene with MolForge

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Related Compounds

2,3-Bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 594623
Bicyclo(2.2.1)hept-2-ene, 2-trifluoromethyl-
CID 145604
[(E)-3,3,3-Trifluoro-1-propenyl]cyclohexane
CID 10487552
4-Propan-2-yl-1-(trifluoromethyl)cyclohexene
CID 118030314
(E)-1-Cyclohexyl-4,4,4-trifluoro-1-butene
CID 71814106
5-(Difluoromethylidene)bicyclo[2.2.1]hept-2-ene
CID 12769996
[(E)-3,3-difluoroprop-1-enyl]cyclohexane
CID 134945748
[(E)-4,4-difluoro-3-methylbut-1-enyl]cyclohexane
CID 166438808
2-Ethylbicyclo[2.2.1]hepta-2,5-diene
CID 21629284
(1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 10489505
Cqlqodnnbnpeor-uhfffaoysa-
CID 23267189
3-(1,1,1,3,3,3-Hexafluoropropan-2-yl)cyclohex-1-ene
CID 129319154

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-ylidene-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 7-propan-2-ylidene-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene (CID 13300003) is 7-propan-2-ylidene-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 7-propan-2-ylidene-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 7-propan-2-ylidene-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene is CC(C)=C1C2C=CC1C(C(F)(F)F)=C2C(F)(F)F.
What is the InChIKey of 7-propan-2-ylidene-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is FIUGRIKKBXFKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6/c1-5(2)8-6-3-4-7(8)10(12(16,17)18)9(6)11(13,14)15/h3-4,6-7H,1-2H3.
What are the key properties of 7-propan-2-ylidene-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene?
7-propan-2-ylidene-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 268.20 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylidene-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 13300003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).