3-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4-tetrafluoropentan-3-ol

C12H16F4O — CID 20734469

IUPAC3-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4-tetrafluoropentan-3-ol
SMILESCC(F)(F)C(O)(C1CC2C=CC1C2)C(C)(F)F
InChIInChI=1S/C12H16F4O/c1-10(13,14)12(17,11(2,15)16)9-6-7-3-4-8(9)5-7/h3-4,7-9,17H,5-6H2,1-2H3
InChIKeyIFFYTJJEOSNFET-UHFFFAOYSA-N
MW252.25 g/mol
LogP3.24
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4-tetrafluoropentan-3-ol

3-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4-tetrafluoropentan-3-ol (PubChem CID 20734469) has the molecular formula C12H16F4O and a molecular weight of 252.25 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4-tetrafluoropentan-3-ol.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4-tetrafluoropentan-3-ol
PubChem CID20734469
Molecular FormulaC12H16F4O
Molecular Weight252.25 g/mol
Exact Mass252.11
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4-tetrafluoropentan-3-ol
SMILESCC(F)(F)C(O)(C1CC2C=CC1C2)C(C)(F)F
InChIInChI=1S/C12H16F4O/c1-10(13,14)12(17,11(2,15)16)9-6-7-3-4-8(9)5-7/h3-4,7-9,17H,5-6H2,1-2H3
InChIKeyIFFYTJJEOSNFET-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 53.24
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-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4-tetrafluoropentan-3-ol?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4-tetrafluoropentan-3-ol (CID 20734469) is 3-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4-tetrafluoropentan-3-ol.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4-tetrafluoropentan-3-ol?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4-tetrafluoropentan-3-ol is CC(F)(F)C(O)(C1CC2C=CC1C2)C(C)(F)F.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4-tetrafluoropentan-3-ol?
The InChIKey is IFFYTJJEOSNFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4O/c1-10(13,14)12(17,11(2,15)16)9-6-7-3-4-8(9)5-7/h3-4,7-9,17H,5-6H2,1-2H3.
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4-tetrafluoropentan-3-ol?
3-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4-tetrafluoropentan-3-ol has a molecular weight of 252.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4-tetrafluoropentan-3-ol is sourced from PubChem (CID 20734469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).