1,1,1,3,3,3-hexafluoro-2-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol

C11H12F6O — CID 87334695

IUPAC1,1,1,3,3,3-hexafluoro-2-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol
SMILESCC1=CC2CC1CC2C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H12F6O/c1-5-2-7-3-6(5)4-8(7)9(18,10(12,13)14)11(15,16)17/h2,6-8,18H,3-4H2,1H3
InChIKeyPIWBHCOJKQMSEE-UHFFFAOYSA-N
MW274.20 g/mol
LogP3.44
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol (PubChem CID 87334695) has the molecular formula C11H12F6O and a molecular weight of 274.20 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol
PubChem CID87334695
Molecular FormulaC11H12F6O
Molecular Weight274.20 g/mol
Exact Mass274.08
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol
SMILESCC1=CC2CC1CC2C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H12F6O/c1-5-2-7-3-6(5)4-8(7)9(18,10(12,13)14)11(15,16)17/h2,6-8,18H,3-4H2,1H3
InChIKeyPIWBHCOJKQMSEE-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,3,3,3-hexafluoro-2-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol with MolForge

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Related Compounds

(-)-alpha-Acorenol
CID 101306697
2-(1,8-Dimethylspiro[4.5]dec-8-en-4-yl)propan-2-ol
CID 14105905
Alpha-acorenol
CID 11972555
beta-Acorenol
CID 14105907
2-[(1S,4R,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol
CID 14105906
3-(Bicyclo[2.2.1]hept-5-EN-2-YL)-1,1,1-trifluoro-2-(trifluoromethyl)propan-2-OL
CID 21360390
10-epi-beta-Acorenol
CID 91747406
2-(5-Bicyclo[2.2.1]hept-2-enyl)propan-2-ol
CID 428884
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
5-[3,3,3-Trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-ene
CID 20743866

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol (CID 87334695) is 1,1,1,3,3,3-hexafluoro-2-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol is CC1=CC2CC1CC2C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol?
The InChIKey is PIWBHCOJKQMSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6O/c1-5-2-7-3-6(5)4-8(7)9(18,10(12,13)14)11(15,16)17/h2,6-8,18H,3-4H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol has a molecular weight of 274.20 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(5-methyl-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol is sourced from PubChem (CID 87334695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).