6-(2-bicyclo[2.2.1]heptanyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol

C15H16F8O — CID 23591032

IUPAC6-(2-bicyclo[2.2.1]heptanyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
SMILESC=C(CC(O)(C(F)(F)F)C(F)(F)C(F)=C(F)F)C1CC2CCC1C2
InChIInChI=1S/C15H16F8O/c1-7(10-5-8-2-3-9(10)4-8)6-13(24,15(21,22)23)14(19,20)11(16)12(17)18/h8-10,24H,1-6H2
InChIKeyBNDASEWRSNIDHC-UHFFFAOYSA-N
MW364.28 g/mol
LogP5.38
Rot. Bonds5

About 6-(2-bicyclo[2.2.1]heptanyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol

6-(2-bicyclo[2.2.1]heptanyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol (PubChem CID 23591032) has the molecular formula C15H16F8O and a molecular weight of 364.28 g/mol. Its IUPAC name is 6-(2-bicyclo[2.2.1]heptanyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name6-(2-bicyclo[2.2.1]heptanyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
PubChem CID23591032
Molecular FormulaC15H16F8O
Molecular Weight364.28 g/mol
Exact Mass364.11
IUPAC Name6-(2-bicyclo[2.2.1]heptanyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
SMILESC=C(CC(O)(C(F)(F)F)C(F)(F)C(F)=C(F)F)C1CC2CCC1C2
InChIInChI=1S/C15H16F8O/c1-7(10-5-8-2-3-9(10)4-8)6-13(24,15(21,22)23)14(19,20)11(16)12(17)18/h8-10,24H,1-6H2
InChIKeyBNDASEWRSNIDHC-UHFFFAOYSA-N
XLogP5.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.28
LogP ≤ 55.38
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-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane
CID 91459533
bicyclo[2.2.1]heptane-2-carbonyl fluoride
CID 86250124
1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 22186473
2-(2-bicyclo[2.2.2]octanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 59709606
1-(2-bicyclo[2.2.1]heptanyl)-2-chloro-2,2-difluoroethanone
CID 130494478
8-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol;2-methylpropane
CID 91137531
methyl 2-methylprop-2-enoate;(8,8,8-trifluoro-7-hydroxy-7-methyloctyl) bicyclo[2.2.1]heptane-2-carboxylate
CID 91226462
2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol
CID 58958840
(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carboxylate
CID 19564455
prop-2-enoic acid;2,2,2-trifluoroethyl bicyclo[2.2.1]heptane-2-carboxylate
CID 158249913
1-(2-bicyclo[2.2.1]heptanyl)-4,4,4-trifluoro-3-(trifluoromethyl)butane-1,3-diol;1-(2-bicyclo[2.2.1]hept-5-enyl)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-1-one;methane;molecular hydrogen
CID 158923585
2-bicyclo[2.2.1]heptanyl 2-(trifluoromethyl)prop-2-enoate
CID 20768646

Frequently Asked Questions

What is the IUPAC name of 6-(2-bicyclo[2.2.1]heptanyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The IUPAC name of 6-(2-bicyclo[2.2.1]heptanyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol (CID 23591032) is 6-(2-bicyclo[2.2.1]heptanyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol.
What is the SMILES notation for 6-(2-bicyclo[2.2.1]heptanyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The canonical SMILES for 6-(2-bicyclo[2.2.1]heptanyl)-1,1,2,3,3-pentafluoro-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)C1CC2CCC1C2.
What is the InChIKey of 6-(2-bicyclo[2.2.1]heptanyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
The InChIKey is BNDASEWRSNIDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F8O/c1-7(10-5-8-2-3-9(10)4-8)6-13(24,15(21,22)23)14(19,20)11(16)12(17)18/h8-10,24H,1-6H2.
What are the key properties of 6-(2-bicyclo[2.2.1]heptanyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol?
6-(2-bicyclo[2.2.1]heptanyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol has a molecular weight of 364.28 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bicyclo[2.2.1]heptanyl)-1,1,2,3,3-pentafluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol is sourced from PubChem (CID 23591032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).