(1R,2R,5S,6S)-3,3-bis(trifluoromethyl)tricyclo[4.2.1.02,5]non-7-ene

C11H10F6 — CID 134921993

IUPAC(1R,2R,5S,6S)-3,3-bis(trifluoromethyl)tricyclo[4.2.1.02,5]non-7-ene
SMILESFC(F)(F)C1(C(F)(F)F)C[C@@H]2[C@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C11H10F6/c12-10(13,14)9(11(15,16)17)4-7-5-1-2-6(3-5)8(7)9/h1-2,5-8H,3-4H2/t5-,6+,7+,8-/m1/s1
InChIKeyOUCFHDYEHLMHGC-VGRMVHKJSA-N
MW256.19 g/mol
LogP3.94
Rot. Bonds

About (1R,2R,5S,6S)-3,3-bis(trifluoromethyl)tricyclo[4.2.1.02,5]non-7-ene

(1R,2R,5S,6S)-3,3-bis(trifluoromethyl)tricyclo[4.2.1.02,5]non-7-ene (PubChem CID 134921993) has the molecular formula C11H10F6 and a molecular weight of 256.19 g/mol. Its IUPAC name is (1R,2R,5S,6S)-3,3-bis(trifluoromethyl)tricyclo[4.2.1.02,5]non-7-ene.

Molecular Properties

Compound Name(1R,2R,5S,6S)-3,3-bis(trifluoromethyl)tricyclo[4.2.1.02,5]non-7-ene
PubChem CID134921993
Molecular FormulaC11H10F6
Molecular Weight256.19 g/mol
Exact Mass256.07
IUPAC Name(1R,2R,5S,6S)-3,3-bis(trifluoromethyl)tricyclo[4.2.1.02,5]non-7-ene
SMILESFC(F)(F)C1(C(F)(F)F)C[C@@H]2[C@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C11H10F6/c12-10(13,14)9(11(15,16)17)4-7-5-1-2-6(3-5)8(7)9/h1-2,5-8H,3-4H2/t5-,6+,7+,8-/m1/s1
InChIKeyOUCFHDYEHLMHGC-VGRMVHKJSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,2R,5S,6S)-3,3-bis(trifluoromethyl)tricyclo[4.2.1.02,5]non-7-ene with MolForge

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Related Compounds

5-(Nonafluorobutyl)bicyclo[2.2.1]hept-2-ene
CID 14024088
Tricyclo(4.2.1.02,5)non-3-ene
CID 138915
5-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene
CID 13685039
3,3,4,4-Tetrafluorotricyclo[4.2.1.0(2,5)]non-7-ene
CID 5200972
5,5,6,6-Tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 13395536
5,6-Difluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 13790999
5,5,6-Trifluoro-6-(1,1,2,2,2-pentafluoroethyl)bicyclo[2.2.1]hept-2-ene
CID 13791001
5-(Heptadecafluorooctyl)norborna-2-ene
CID 14024089
5-(Henicosafluorodecyl)norborna-2-ene
CID 14024090
5,6-Bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)bicyclo[2.2.1]hept-2-ene
CID 14024092
5,6-Bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)bicyclo[2.2.1]hept-2-ene
CID 14024093
5,5,6-Tris(fluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 18427149

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S,6S)-3,3-bis(trifluoromethyl)tricyclo[4.2.1.02,5]non-7-ene?
The IUPAC name of (1R,2R,5S,6S)-3,3-bis(trifluoromethyl)tricyclo[4.2.1.02,5]non-7-ene (CID 134921993) is (1R,2R,5S,6S)-3,3-bis(trifluoromethyl)tricyclo[4.2.1.02,5]non-7-ene.
What is the SMILES notation for (1R,2R,5S,6S)-3,3-bis(trifluoromethyl)tricyclo[4.2.1.02,5]non-7-ene?
The canonical SMILES for (1R,2R,5S,6S)-3,3-bis(trifluoromethyl)tricyclo[4.2.1.02,5]non-7-ene is FC(F)(F)C1(C(F)(F)F)C[C@@H]2[C@H]1[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1R,2R,5S,6S)-3,3-bis(trifluoromethyl)tricyclo[4.2.1.02,5]non-7-ene?
The InChIKey is OUCFHDYEHLMHGC-VGRMVHKJSA-N. The full InChI is InChI=1S/C11H10F6/c12-10(13,14)9(11(15,16)17)4-7-5-1-2-6(3-5)8(7)9/h1-2,5-8H,3-4H2/t5-,6+,7+,8-/m1/s1.
What are the key properties of (1R,2R,5S,6S)-3,3-bis(trifluoromethyl)tricyclo[4.2.1.02,5]non-7-ene?
(1R,2R,5S,6S)-3,3-bis(trifluoromethyl)tricyclo[4.2.1.02,5]non-7-ene has a molecular weight of 256.19 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S,6S)-3,3-bis(trifluoromethyl)tricyclo[4.2.1.02,5]non-7-ene is sourced from PubChem (CID 134921993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).