(1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene

C9H8F4O — CID 134993872

IUPAC(1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
SMILESFC1(F)OC(F)(F)C2C1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C9H8F4O/c10-8(11)6-4-1-2-5(3-4)7(6)9(12,13)14-8/h1-2,4-7H,3H2/t4-,5+,6?,7?
InChIKeyYNDJLUXPBLTRFO-DPTVFECHSA-N
MW208.15 g/mol
LogP2.64
Rot. Bonds

About (1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene

(1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 134993872) has the molecular formula C9H8F4O and a molecular weight of 208.15 g/mol. Its IUPAC name is (1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name(1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID134993872
Molecular FormulaC9H8F4O
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name(1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
SMILESFC1(F)OC(F)(F)C2C1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C9H8F4O/c10-8(11)6-4-1-2-5(3-4)7(6)9(12,13)14-8/h1-2,4-7H,3H2/t4-,5+,6?,7?
InChIKeyYNDJLUXPBLTRFO-DPTVFECHSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-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

3,3,5,5-Tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 15537080
5-(2,2,3,3,3-Pentafluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 58813233
5-(3,3,4,4,4-Pentafluorobutoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 58813239
5-(2,2,2-Trifluoroethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 58813249
5-[(1-Ethylcyclopentyl)oxy-difluoromethyl]bicyclo[2.2.1]hept-2-ene
CID 69021969
5-(3,3,3-Trifluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 71171150
5-[(1,1,2,4,4,5,5,6,6,6-Decafluoro-3-oxahexoxy)methyl]-bicyclo[2.2.1]hept-2-ene
CID 87073866
5-[[1,1,2-Trifluoro-2-(trifluoromethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene
CID 87711170
5-[[1,1,2-Trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene
CID 87729953
5-(1,1,1,3,3,3-Hexafluoropropan-2-yloxymethyl)bicyclo[2.2.1]hept-2-ene
CID 89964495
5-[[3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propoxy]methyl]bicyclo[2.2.1]hept-2-ene
CID 90206057
5-(Difluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 126765891

Frequently Asked Questions

What is the IUPAC name of (1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of (1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene (CID 134993872) is (1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for (1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for (1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene is FC1(F)OC(F)(F)C2C1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is YNDJLUXPBLTRFO-DPTVFECHSA-N. The full InChI is InChI=1S/C9H8F4O/c10-8(11)6-4-1-2-5(3-4)7(6)9(12,13)14-8/h1-2,4-7H,3H2/t4-,5+,6?,7?.
What are the key properties of (1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene?
(1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 208.15 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 134993872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).