(1S,6R)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene

C9H9F3O — CID 134928353

IUPAC(1S,6R)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene
SMILESFC(F)(F)C1OC2C1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C9H9F3O/c10-9(11,12)8-6-4-1-2-5(3-4)7(6)13-8/h1-2,4-8H,3H2/t4-,5+,6?,7?,8?/m0/s1
InChIKeyOTABZZPTODRNDT-VFILTWHOSA-N
MW190.16 g/mol
LogP2.14
Rot. Bonds

About (1S,6R)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene

(1S,6R)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene (PubChem CID 134928353) has the molecular formula C9H9F3O and a molecular weight of 190.16 g/mol. Its IUPAC name is (1S,6R)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene.

Molecular Properties

Compound Name(1S,6R)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene
PubChem CID134928353
Molecular FormulaC9H9F3O
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name(1S,6R)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene
SMILESFC(F)(F)C1OC2C1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C9H9F3O/c10-9(11,12)8-6-4-1-2-5(3-4)7(6)13-8/h1-2,4-8H,3H2/t4-,5+,6?,7?,8?/m0/s1
InChIKeyOTABZZPTODRNDT-VFILTWHOSA-N
XLogP2.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,6R)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-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

4-(Bromomethyl)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene
CID 58679541
4-(Chloromethyl)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene
CID 134856035
(1S,6R)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene
CID 134927607
(1S,6R)-4,4-difluoro-3-oxatricyclo[4.2.1.02,5]non-7-ene
CID 134928354
4-[Bromo(difluoro)methyl]-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene
CID 134972310
(1S,6R)-4-fluoro-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene
CID 134992810
5-(3,3,3-Trifluoro-2-methoxypropyl)bicyclo[2.2.1]hept-2-ene
CID 22278113
5-(2,2,2-Trifluoro-1-methoxyethyl)bicyclo[2.2.1]hept-2-ene
CID 22278117
3-Oxatricyclo[4.2.1.02,5]non-7-ene, 4,4-difluoro-(9CI)
CID 45090657
Difluoro-(4-fluoro-3-oxatricyclo[4.2.1.02,5]non-7-en-4-yl)methanesulfonyl fluoride
CID 58679540
2',2',3',3',4',4'-Hexafluorospiro[3-oxatricyclo[4.2.1.02,5]non-7-ene-4,1'-cyclobutane]
CID 58679543
4-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)-3-oxatricyclo[4.2.1.02,5]non-7-ene
CID 58679547

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene?
The IUPAC name of (1S,6R)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene (CID 134928353) is (1S,6R)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene.
What is the SMILES notation for (1S,6R)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene?
The canonical SMILES for (1S,6R)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene is FC(F)(F)C1OC2C1[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1S,6R)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene?
The InChIKey is OTABZZPTODRNDT-VFILTWHOSA-N. The full InChI is InChI=1S/C9H9F3O/c10-9(11,12)8-6-4-1-2-5(3-4)7(6)13-8/h1-2,4-8H,3H2/t4-,5+,6?,7?,8?/m0/s1.
What are the key properties of (1S,6R)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene?
(1S,6R)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene has a molecular weight of 190.16 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-4-(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]non-7-ene is sourced from PubChem (CID 134928353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).