(1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

C9H8F6 — CID 11075204

IUPAC(1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C1=C(C(F)(F)F)[C@H]2CC[C@@H]1C2
InChIInChI=1S/C9H8F6/c10-8(11,12)6-4-1-2-5(3-4)7(6)9(13,14)15/h4-5H,1-3H2/t4-,5+
InChIKeyCRPBXNIGBMTJRY-SYDPRGILSA-N
MW230.15 g/mol
LogP3.84
Rot. Bonds

About (1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

(1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 11075204) has the molecular formula C9H8F6 and a molecular weight of 230.15 g/mol. Its IUPAC name is (1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID11075204
Molecular FormulaC9H8F6
Molecular Weight230.15 g/mol
Exact Mass230.05
IUPAC Name(1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C1=C(C(F)(F)F)[C@H]2CC[C@@H]1C2
InChIInChI=1S/C9H8F6/c10-8(11,12)6-4-1-2-5(3-4)7(6)9(13,14)15/h4-5H,1-3H2/t4-,5+
InChIKeyCRPBXNIGBMTJRY-SYDPRGILSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bicyclo(2.2.1)hept-2-ene, 2-trifluoromethyl-
CID 145604
(Z)-1,1,1,2-Tetrafluoro-3-cyclopentyl-2-heptene
CID 15497040
2,3-Bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 15837044
5-(1,1,2,2,3,3,4,4,4-Nonafluorobutyl)bicyclo[2.2.1]hept-1-ene
CID 18929018
2-(1,1,2,2,3,3,4,4,4-Nonafluorobutyl)bicyclo[2.2.1]hept-1-ene
CID 19371850
1,2,3,4,7,7-Hexafluoro-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-ene
CID 20802230
5-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)bicyclo[2.2.1]hept-1-ene
CID 22165195
5,5,6-Trifluoro-6-(trifluoromethyl)bicyclo[2.2.1]hept-1-ene
CID 22480612
2-(1,1,2,2,3,3,4,4,4-Nonafluorobutyl)bicyclo[2.2.1]hept-2-ene
CID 53810996
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Pentacosafluorododecyl)bicyclo[2.2.1]hept-2-ene
CID 54011844
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)bicyclo[2.2.1]hept-2-ene
CID 54149385
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene
CID 54370636

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (CID 11075204) is (1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is FC(F)(F)C1=C(C(F)(F)F)[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is CRPBXNIGBMTJRY-SYDPRGILSA-N. The full InChI is InChI=1S/C9H8F6/c10-8(11,12)6-4-1-2-5(3-4)7(6)9(13,14)15/h4-5H,1-3H2/t4-,5+.
What are the key properties of (1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
(1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 230.15 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 11075204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).