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

C11H12F6O — CID 87737089

IUPAC3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol
SMILESOC1=C(CC(C(F)(F)F)C(F)(F)F)C2CCC1C2
InChIInChI=1S/C11H12F6O/c12-10(13,14)8(11(15,16)17)4-7-5-1-2-6(3-5)9(7)18/h5-6,8,18H,1-4H2
InChIKeyWZQUBAAUGKILKF-UHFFFAOYSA-N
MW274.20 g/mol
LogP4.36
Rot. Bonds2

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

3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol (PubChem CID 87737089) has the molecular formula C11H12F6O and a molecular weight of 274.20 g/mol. Its IUPAC name is 3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol.

Molecular Properties

Compound Name3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol
PubChem CID87737089
Molecular FormulaC11H12F6O
Molecular Weight274.20 g/mol
Exact Mass274.08
IUPAC Name3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol
SMILESOC1=C(CC(C(F)(F)F)C(F)(F)F)C2CCC1C2
InChIInChI=1S/C11H12F6O/c12-10(13,14)8(11(15,16)17)4-7-5-1-2-6(3-5)9(7)18/h5-6,8,18H,1-4H2
InChIKeyWZQUBAAUGKILKF-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]hept-2-enyl]propan-2-ol
CID 20760914
1,1,1-Trifluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]hept-2-enyl]propan-2-ol
CID 20760917
2-(2-Bicyclo[2.2.1]hept-2-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20760919
1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]hept-2-enyl]propan-2-ol
CID 58455655
2-(1',1'-Bis(trifluoromethyl)-1'-hydroxyethyl)norbornene
CID 58999840
1-(2-Bicyclo[2.2.1]hept-5-enyl)-1,2,2,2-tetrafluoroethanol
CID 59016958
1,1,1,3,3,3-Hexafluoro-2-[3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)-2-bicyclo[2.2.1]hept-2-enyl]propan-2-ol
CID 59752418
5-[3,3,3-Trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol
CID 87177306
1,1,1,3,3,3-Hexafluoro-2-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol
CID 87334695
2-(2-Bicyclo[2.2.1]hept-1-enyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
CID 87438860
3-(1,1,1,3,3,3-Hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-en-2-ol
CID 87438861
2-(2-Bicyclo[2.2.1]hept-1-enylmethyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
CID 87648098

Frequently Asked Questions

What is the IUPAC name of 3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol?
The IUPAC name of 3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol (CID 87737089) is 3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol.
What is the SMILES notation for 3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol?
The canonical SMILES for 3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol is OC1=C(CC(C(F)(F)F)C(F)(F)F)C2CCC1C2.
What is the InChIKey of 3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol?
The InChIKey is WZQUBAAUGKILKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6O/c12-10(13,14)8(11(15,16)17)4-7-5-1-2-6(3-5)9(7)18/h5-6,8,18H,1-4H2.
What are the key properties of 3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol?
3-[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 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol is sourced from PubChem (CID 87737089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).