5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol

C11H12F6O — CID 87177306

IUPAC5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol
SMILESOC1=CC2CC1CC2CC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H12F6O/c12-10(13,14)9(11(15,16)17)4-6-2-7-1-5(6)3-8(7)18/h3,5-7,9,18H,1-2,4H2
InChIKeyXSTIOZGBIGOJFG-UHFFFAOYSA-N
MW274.20 g/mol
LogP4.22
Rot. Bonds2

About 5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol

5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol (PubChem CID 87177306) has the molecular formula C11H12F6O and a molecular weight of 274.20 g/mol. Its IUPAC name is 5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol.

Molecular Properties

Compound Name5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol
PubChem CID87177306
Molecular FormulaC11H12F6O
Molecular Weight274.20 g/mol
Exact Mass274.08
IUPAC Name5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol
SMILESOC1=CC2CC1CC2CC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H12F6O/c12-10(13,14)9(11(15,16)17)4-6-2-7-1-5(6)3-8(7)18/h3,5-7,9,18H,1-2,4H2
InChIKeyXSTIOZGBIGOJFG-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Bicyclo[2.2.1]hept-5-EN-2-YL)-1,1,1-trifluoro-2-(trifluoromethyl)propan-2-OL
CID 21360390
1-(5-Norbornene-2-yl)-2,2,4,4,4-pentafluorobutane-1,3-diol
CID 11231086
2-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11565312
3-(2-Bicyclo[2.2.1]hept-5-enyl)-2,2,4,4-tetrafluoropentan-3-ol
CID 20734469
3,3,5,5-Tetrafluoro-4-methyltricyclo[5.2.1.02,6]dec-8-en-4-ol
CID 20734472
1,1,1,3,3,3-Hexafluoro-2-[3-(1-fluoroethenyl)-4-prop-2-enylcyclopentyl]propan-2-ol
CID 20760661
2-(2-Bicyclo[2.2.1]hept-2-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20760919
1-Fluoro-2-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]propan-2-ol
CID 21018011
2-(2-Bicyclo[2.2.1]hept-5-enyl)-3,3-difluoro-4-(trifluoromethyl)hexane-2,4-diol
CID 21018014
2-Fluoro-1-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol
CID 21018015
4-(2-Bicyclo[2.2.1]hept-5-enyl)-1,1,1,3,3-pentafluoro-2-methylpentane-2,4-diol
CID 21018022
2-(1,1,3,3,3-Pentafluoro-2-hydroxy-2-methylpropyl)bicyclo[2.2.1]hept-5-en-2-ol
CID 21018030

Frequently Asked Questions

What is the IUPAC name of 5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol?
The IUPAC name of 5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol (CID 87177306) is 5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol.
What is the SMILES notation for 5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol?
The canonical SMILES for 5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol is OC1=CC2CC1CC2CC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol?
The InChIKey is XSTIOZGBIGOJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6O/c12-10(13,14)9(11(15,16)17)4-6-2-7-1-5(6)3-8(7)18/h3,5-7,9,18H,1-2,4H2.
What are the key properties of 5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol?
5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol has a molecular weight of 274.20 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol is sourced from PubChem (CID 87177306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).