2-fluoro-1-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol

C10H12F4O — CID 21018015

IUPAC2-fluoro-1-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol
SMILESOC(CF)C1(C(F)(F)F)CC2C=CC1C2
InChIInChI=1S/C10H12F4O/c11-5-8(15)9(10(12,13)14)4-6-1-2-7(9)3-6/h1-2,6-8,15H,3-5H2
InChIKeyIMCCWIGQUAHUTN-UHFFFAOYSA-N
MW224.20 g/mol
LogP2.46
Rot. Bonds2

About 2-fluoro-1-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol

2-fluoro-1-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol (PubChem CID 21018015) has the molecular formula C10H12F4O and a molecular weight of 224.20 g/mol. Its IUPAC name is 2-fluoro-1-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol.

Molecular Properties

Compound Name2-fluoro-1-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol
PubChem CID21018015
Molecular FormulaC10H12F4O
Molecular Weight224.20 g/mol
Exact Mass224.08
IUPAC Name2-fluoro-1-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol
SMILESOC(CF)C1(C(F)(F)F)CC2C=CC1C2
InChIInChI=1S/C10H12F4O/c11-5-8(15)9(10(12,13)14)4-6-1-2-7(9)3-6/h1-2,6-8,15H,3-5H2
InChIKeyIMCCWIGQUAHUTN-UHFFFAOYSA-N
XLogP2.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 52.46
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 2-fluoro-1-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol?
The IUPAC name of 2-fluoro-1-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol (CID 21018015) is 2-fluoro-1-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol.
What is the SMILES notation for 2-fluoro-1-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol?
The canonical SMILES for 2-fluoro-1-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol is OC(CF)C1(C(F)(F)F)CC2C=CC1C2.
What is the InChIKey of 2-fluoro-1-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol?
The InChIKey is IMCCWIGQUAHUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4O/c11-5-8(15)9(10(12,13)14)4-6-1-2-7(9)3-6/h1-2,6-8,15H,3-5H2.
What are the key properties of 2-fluoro-1-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol?
2-fluoro-1-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol has a molecular weight of 224.20 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol is sourced from PubChem (CID 21018015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).