8,8-difluoro-7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol

C9H9F5O — CID 70985483

IUPAC8,8-difluoro-7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol
SMILESOC1(C(F)(F)F)C2CC=CCC2C1(F)F
InChIInChI=1S/C9H9F5O/c10-8(11)6-4-2-1-3-5(6)7(8,15)9(12,13)14/h1-2,5-6,15H,3-4H2
InChIKeyXFVMGBOUDAWDHX-UHFFFAOYSA-N
MW228.16 g/mol
LogP2.51
Rot. Bonds

About 8,8-difluoro-7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol

8,8-difluoro-7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol (PubChem CID 70985483) has the molecular formula C9H9F5O and a molecular weight of 228.16 g/mol. Its IUPAC name is 8,8-difluoro-7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol.

Molecular Properties

Compound Name8,8-difluoro-7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol
PubChem CID70985483
Molecular FormulaC9H9F5O
Molecular Weight228.16 g/mol
Exact Mass228.06
IUPAC Name8,8-difluoro-7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol
SMILESOC1(C(F)(F)F)C2CC=CCC2C1(F)F
InChIInChI=1S/C9H9F5O/c10-8(11)6-4-2-1-3-5(6)7(8,15)9(12,13)14/h1-2,5-6,15H,3-4H2
InChIKeyXFVMGBOUDAWDHX-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.16
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohex-2-en-1-yl-1,1,1-trifluoropropan-2-ol
CID 13601564
1,1,1,3,3,3-Hexafluoro-2-[(2-methylcyclohex-3-en-1-yl)methyl]propan-2-ol;tungsten;yttrium
CID 60099191
4-Cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(fluoromethyl)butan-2-ol
CID 68274125
4-Cyclopent-2-en-1-yl-2,2-difluoro-1-(trifluoromethyl)cyclobutan-1-ol
CID 70905946
2-Cyclohex-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87065331
2-(Cyclohex-3-en-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87065332
4-Cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 88918236
2-(3-Bicyclo[4.2.0]oct-7-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 89105696
1,1,1,3,3,3-Hexafluoro-2-(1-fluorocyclohex-3-en-1-yl)propan-2-ol
CID 89138985
7-(Trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol
CID 89159877
2-[(2,5-Dimethylcyclohex-3-en-1-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 126626962
1,1,1,3,3,3-Hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohex-2-en-1-yl]propan-2-ol
CID 138643504

Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol?
The IUPAC name of 8,8-difluoro-7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol (CID 70985483) is 8,8-difluoro-7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol.
What is the SMILES notation for 8,8-difluoro-7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol?
The canonical SMILES for 8,8-difluoro-7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol is OC1(C(F)(F)F)C2CC=CCC2C1(F)F.
What is the InChIKey of 8,8-difluoro-7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol?
The InChIKey is XFVMGBOUDAWDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5O/c10-8(11)6-4-2-1-3-5(6)7(8,15)9(12,13)14/h1-2,5-6,15H,3-4H2.
What are the key properties of 8,8-difluoro-7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol?
8,8-difluoro-7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol has a molecular weight of 228.16 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol is sourced from PubChem (CID 70985483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).