1,1,2,3,3-pentafluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol

C16H18F8O — CID 23591033

IUPAC1,1,2,3,3-pentafluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol
SMILESC=C(CC(O)(C(F)(F)F)C(F)(F)C(F)=C(F)F)C1CC2(CCCC2)C1
InChIInChI=1S/C16H18F8O/c1-9(10-7-13(8-10)4-2-3-5-13)6-14(25,16(22,23)24)15(20,21)11(17)12(18)19/h10,25H,1-8H2
InChIKeyGLTSJTUROLMXPI-UHFFFAOYSA-N
MW378.30 g/mol
LogP5.91
Rot. Bonds5

About 1,1,2,3,3-pentafluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol

1,1,2,3,3-pentafluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol (PubChem CID 23591033) has the molecular formula C16H18F8O and a molecular weight of 378.30 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol
PubChem CID23591033
Molecular FormulaC16H18F8O
Molecular Weight378.30 g/mol
Exact Mass378.12
IUPAC Name1,1,2,3,3-pentafluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol
SMILESC=C(CC(O)(C(F)(F)F)C(F)(F)C(F)=C(F)F)C1CC2(CCCC2)C1
InChIInChI=1S/C16H18F8O/c1-9(10-7-13(8-10)4-2-3-5-13)6-14(25,16(22,23)24)15(20,21)11(17)12(18)19/h10,25H,1-8H2
InChIKeyGLTSJTUROLMXPI-UHFFFAOYSA-N
XLogP5.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.30
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2,3,3-pentafluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol 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

1,1,1,4,4,5,6,6-Octafluoro-3-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hex-5-en-2-ol
CID 23591017
1,1,1,5,5,6,7,7-Octafluoro-4-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hept-6-en-2-ol
CID 23591021
1,1,1,5,6,6-Hexafluoro-3-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hex-5-en-2-ol
CID 23591025
1,1,1,6,7,7-Hexafluoro-4-(2-spiro[3.4]octan-2-ylprop-2-enyl)-2-(trifluoromethyl)hept-6-en-2-ol
CID 23591029
1,1,2-Trifluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 23591037
2-[1-(2-Cyclopentylprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58854816
4,4-difluoro-3-methyl-1-[(1R)-3-methylidenecyclopentyl]octan-3-ol
CID 142984266
3-Cyclopentyl-3-ethenyl-4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)heptan-2-ol
CID 144014931

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The IUPAC name of 1,1,2,3,3-pentafluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol (CID 23591033) is 1,1,2,3,3-pentafluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol.
What is the SMILES notation for 1,1,2,3,3-pentafluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The canonical SMILES for 1,1,2,3,3-pentafluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol is C=C(CC(O)(C(F)(F)F)C(F)(F)C(F)=C(F)F)C1CC2(CCCC2)C1.
What is the InChIKey of 1,1,2,3,3-pentafluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The InChIKey is GLTSJTUROLMXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F8O/c1-9(10-7-13(8-10)4-2-3-5-13)6-14(25,16(22,23)24)15(20,21)11(17)12(18)19/h10,25H,1-8H2.
What are the key properties of 1,1,2,3,3-pentafluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
1,1,2,3,3-pentafluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol has a molecular weight of 378.30 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 23591033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).