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

C16H20F6O — CID 23591037

IUPAC1,1,2-trifluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol
SMILESC=C(CC(O)(CC(F)=C(F)F)C(F)(F)F)C1CC2(CCCC2)C1
InChIInChI=1S/C16H20F6O/c1-10(11-7-14(8-11)4-2-3-5-14)6-15(23,16(20,21)22)9-12(17)13(18)19/h11,23H,1-9H2
InChIKeySPMKKWQJDSLQLU-UHFFFAOYSA-N
MW342.32 g/mol
LogP5.66
Rot. Bonds5

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

1,1,2-trifluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol (PubChem CID 23591037) has the molecular formula C16H20F6O and a molecular weight of 342.32 g/mol. Its IUPAC name is 1,1,2-trifluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name1,1,2-trifluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol
PubChem CID23591037
Molecular FormulaC16H20F6O
Molecular Weight342.32 g/mol
Exact Mass342.14
IUPAC Name1,1,2-trifluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol
SMILESC=C(CC(O)(CC(F)=C(F)F)C(F)(F)F)C1CC2(CCCC2)C1
InChIInChI=1S/C16H20F6O/c1-10(11-7-14(8-11)4-2-3-5-14)6-15(23,16(20,21)22)9-12(17)13(18)19/h11,23H,1-9H2
InChIKeySPMKKWQJDSLQLU-UHFFFAOYSA-N
XLogP5.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.32
LogP ≤ 55.66
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

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
1,1,2,3,3-Pentafluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 23591033
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-trifluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The IUPAC name of 1,1,2-trifluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol (CID 23591037) is 1,1,2-trifluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol.
What is the SMILES notation for 1,1,2-trifluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The canonical SMILES for 1,1,2-trifluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol is C=C(CC(O)(CC(F)=C(F)F)C(F)(F)F)C1CC2(CCCC2)C1.
What is the InChIKey of 1,1,2-trifluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The InChIKey is SPMKKWQJDSLQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F6O/c1-10(11-7-14(8-11)4-2-3-5-14)6-15(23,16(20,21)22)9-12(17)13(18)19/h11,23H,1-9H2.
What are the key properties of 1,1,2-trifluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
1,1,2-trifluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol has a molecular weight of 342.32 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-6-spiro[3.4]octan-2-yl-4-(trifluoromethyl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 23591037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).