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

C11H14F4O — CID 21018011

IUPAC1-fluoro-2-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]propan-2-ol
SMILESCC(O)(CF)C1(C(F)(F)F)CC2C=CC1C2
InChIInChI=1S/C11H14F4O/c1-9(16,6-12)10(11(13,14)15)5-7-2-3-8(10)4-7/h2-3,7-8,16H,4-6H2,1H3
InChIKeyCQGQGVMXCGZYDK-UHFFFAOYSA-N
MW238.22 g/mol
LogP2.85
Rot. Bonds2

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

1-fluoro-2-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]propan-2-ol (PubChem CID 21018011) has the molecular formula C11H14F4O and a molecular weight of 238.22 g/mol. Its IUPAC name is 1-fluoro-2-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]propan-2-ol.

Molecular Properties

Compound Name1-fluoro-2-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]propan-2-ol
PubChem CID21018011
Molecular FormulaC11H14F4O
Molecular Weight238.22 g/mol
Exact Mass238.10
IUPAC Name1-fluoro-2-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]propan-2-ol
SMILESCC(O)(CF)C1(C(F)(F)F)CC2C=CC1C2
InChIInChI=1S/C11H14F4O/c1-9(16,6-12)10(11(13,14)15)5-7-2-3-8(10)4-7/h2-3,7-8,16H,4-6H2,1H3
InChIKeyCQGQGVMXCGZYDK-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 52.85
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 1-fluoro-2-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]propan-2-ol?
The IUPAC name of 1-fluoro-2-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]propan-2-ol (CID 21018011) is 1-fluoro-2-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]propan-2-ol.
What is the SMILES notation for 1-fluoro-2-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]propan-2-ol?
The canonical SMILES for 1-fluoro-2-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]propan-2-ol is CC(O)(CF)C1(C(F)(F)F)CC2C=CC1C2.
What is the InChIKey of 1-fluoro-2-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]propan-2-ol?
The InChIKey is CQGQGVMXCGZYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4O/c1-9(16,6-12)10(11(13,14)15)5-7-2-3-8(10)4-7/h2-3,7-8,16H,4-6H2,1H3.
What are the key properties of 1-fluoro-2-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]propan-2-ol?
1-fluoro-2-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]propan-2-ol has a molecular weight of 238.22 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]propan-2-ol is sourced from PubChem (CID 21018011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).