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

C8H7F5O — CID 20617085

IUPAC3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESOC1(C(F)(F)F)C2C=CC(C2)C1(F)F
InChIInChI=1S/C8H7F5O/c9-7(10)5-2-1-4(3-5)6(7,14)8(11,12)13/h1-2,4-5,14H,3H2
InChIKeyJLBMCECANBMNQK-UHFFFAOYSA-N
MW214.13 g/mol
LogP2.12
Rot. Bonds

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

3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 20617085) has the molecular formula C8H7F5O and a molecular weight of 214.13 g/mol. Its IUPAC name is 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol
PubChem CID20617085
Molecular FormulaC8H7F5O
Molecular Weight214.13 g/mol
Exact Mass214.04
IUPAC Name3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESOC1(C(F)(F)F)C2C=CC(C2)C1(F)F
InChIInChI=1S/C8H7F5O/c9-7(10)5-2-1-4(3-5)6(7,14)8(11,12)13/h1-2,4-5,14H,3H2
InChIKeyJLBMCECANBMNQK-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol (CID 20617085) is 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol is OC1(C(F)(F)F)C2C=CC(C2)C1(F)F.
What is the InChIKey of 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is JLBMCECANBMNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5O/c9-7(10)5-2-1-4(3-5)6(7,14)8(11,12)13/h1-2,4-5,14H,3H2.
What are the key properties of 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol?
3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 214.13 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 20617085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).