2-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene

C8H7F3 — CID 23268650

IUPAC2-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
SMILESFC(F)(F)C1=CC2C=CC1C2
InChIInChI=1S/C8H7F3/c9-8(10,11)7-4-5-1-2-6(7)3-5/h1-2,4-6H,3H2
InChIKeyUPPOAURDKQPQTC-UHFFFAOYSA-N
MW160.14 g/mol
LogP2.68
Rot. Bonds

About 2-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene

2-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene (PubChem CID 23268650) has the molecular formula C8H7F3 and a molecular weight of 160.14 g/mol. Its IUPAC name is 2-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name2-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
PubChem CID23268650
Molecular FormulaC8H7F3
Molecular Weight160.14 g/mol
Exact Mass160.05
IUPAC Name2-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
SMILESFC(F)(F)C1=CC2C=CC1C2
InChIInChI=1S/C8H7F3/c9-8(10,11)7-4-5-1-2-6(7)3-5/h1-2,4-6H,3H2
InChIKeyUPPOAURDKQPQTC-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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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
5,5,6,6-Tetrafluorobicyclo[2.2.1]hept-2-ene
CID 13395535
Trifluoromethylnorbornene
CID 68637001
5-(Difluoromethylidene)bicyclo[2.2.1]hept-2-ene
CID 12769996
2,3-Di-fluorobicyclo[2.2.1]hepta-2,5-diene
CID 15129214
(1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 10489505
Zmnvuybllsqfex-uhfffaoysa-
CID 23268643
4-(Difluoromethyl)cyclohexene
CID 13431156
3-(3,3,3-Trifluoroprop-1-en-2-yl)cyclohexene
CID 14295660
1,2-Bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 21675336
5,5-Difluorobicyclo[2.2.1]hept-2-ene
CID 21946932

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 2-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene (CID 23268650) is 2-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 2-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 2-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene is FC(F)(F)C1=CC2C=CC1C2.
What is the InChIKey of 2-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is UPPOAURDKQPQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3/c9-8(10,11)7-4-5-1-2-6(7)3-5/h1-2,4-6H,3H2.
What are the key properties of 2-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene?
2-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 160.14 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 23268650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).