3-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-en-2-ol

C10H10F6O — CID 87438861

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-en-2-ol
SMILESOC1=C(C(C(F)(F)F)C(F)(F)F)C2CCC1C2
InChIInChI=1S/C10H10F6O/c11-9(12,13)8(10(14,15)16)6-4-1-2-5(3-4)7(6)17/h4-5,8,17H,1-3H2
InChIKeyPPEJUMVYZCLKQJ-UHFFFAOYSA-N
MW260.18 g/mol
LogP3.97
Rot. Bonds1

About 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-en-2-ol

3-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-en-2-ol (PubChem CID 87438861) has the molecular formula C10H10F6O and a molecular weight of 260.18 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-en-2-ol.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-en-2-ol
PubChem CID87438861
Molecular FormulaC10H10F6O
Molecular Weight260.18 g/mol
Exact Mass260.06
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-en-2-ol
SMILESOC1=C(C(C(F)(F)F)C(F)(F)F)C2CCC1C2
InChIInChI=1S/C10H10F6O/c11-9(12,13)8(10(14,15)16)6-4-1-2-5(3-4)7(6)17/h4-5,8,17H,1-3H2
InChIKeyPPEJUMVYZCLKQJ-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-en-2-ol with MolForge

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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
2-(2-Bicyclo[2.2.1]hept-1-enylmethyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
CID 87648098
3-[3,3,3-Trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol
CID 87737089

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-en-2-ol?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-en-2-ol (CID 87438861) is 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-en-2-ol.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-en-2-ol?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-en-2-ol is OC1=C(C(C(F)(F)F)C(F)(F)F)C2CCC1C2.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-en-2-ol?
The InChIKey is PPEJUMVYZCLKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6O/c11-9(12,13)8(10(14,15)16)6-4-1-2-5(3-4)7(6)17/h4-5,8,17H,1-3H2.
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-en-2-ol?
3-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-en-2-ol has a molecular weight of 260.18 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-en-2-ol is sourced from PubChem (CID 87438861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).