(1R,4S)-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

C9H8F6 — CID 15837042

IUPAC(1R,4S)-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C1C(C(F)(F)F)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C9H8F6/c10-8(11,12)6-4-1-2-5(3-4)7(6)9(13,14)15/h1-2,4-7H,3H2/t4-,5+,6?,7?
InChIKeyZGNJHKOQQSEQRR-DPTVFECHSA-N
MW230.15 g/mol
LogP3.55
Rot. Bonds

About (1R,4S)-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

(1R,4S)-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 15837042) has the molecular formula C9H8F6 and a molecular weight of 230.15 g/mol. Its IUPAC name is (1R,4S)-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1R,4S)-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID15837042
Molecular FormulaC9H8F6
Molecular Weight230.15 g/mol
Exact Mass230.05
IUPAC Name(1R,4S)-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C1C(C(F)(F)F)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C9H8F6/c10-8(11,12)6-4-1-2-5(3-4)7(6)9(13,14)15/h1-2,4-7H,3H2/t4-,5+,6?,7?
InChIKeyZGNJHKOQQSEQRR-DPTVFECHSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1R,4S)-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (CID 15837042) is (1R,4S)-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1R,4S)-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1R,4S)-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is FC(F)(F)C1C(C(F)(F)F)[C@H]2C=C[C@@H]1C2.
What is the InChIKey of (1R,4S)-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is ZGNJHKOQQSEQRR-DPTVFECHSA-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/h1-2,4-7H,3H2/t4-,5+,6?,7?.
What are the key properties of (1R,4S)-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
(1R,4S)-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 230.15 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 15837042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).