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

C10H12F4O — CID 58894685

IUPAC1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol
SMILESCC(O)(C(F)(F)F)C1(F)CC2C=CC1C2
InChIInChI=1S/C10H12F4O/c1-8(15,10(12,13)14)9(11)5-6-2-3-7(9)4-6/h2-3,6-7,15H,4-5H2,1H3
InChIKeyQHMUUSBUQBDTTH-UHFFFAOYSA-N
MW224.20 g/mol
LogP2.60
Rot. Bonds1

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

1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol (PubChem CID 58894685) has the molecular formula C10H12F4O and a molecular weight of 224.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol
PubChem CID58894685
Molecular FormulaC10H12F4O
Molecular Weight224.20 g/mol
Exact Mass224.08
IUPAC Name1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol
SMILESCC(O)(C(F)(F)F)C1(F)CC2C=CC1C2
InChIInChI=1S/C10H12F4O/c1-8(15,10(12,13)14)9(11)5-6-2-3-7(9)4-6/h2-3,6-7,15H,4-5H2,1H3
InChIKeyQHMUUSBUQBDTTH-UHFFFAOYSA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(Bicyclo[2.2.1]hept-5-EN-2-YL)-1,1,1-trifluoro-2-(trifluoromethyl)propan-2-OL
CID 21360390
2-(5-Bicyclo[2.2.1]hept-2-enyl)propan-2-ol
CID 428884
7-[4-(Trifluoromethyl)cyclohexyl]bicyclo[2.2.1]hept-2-en-7-ol
CID 425848
1-(5-Norbornene-2-yl)-2,2,4,4,4-pentafluorobutane-1,3-diol
CID 11231086
2-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11565312
5-(Trifluoromethyl)bicyclo[2.2.1]hepta-2-ene-5-ol
CID 14871185
3,3-Difluoro-2-(trifluoromethyl)bicyclo[2.2.1]hept-5-en-2-ol
CID 20617085
3-(2-Bicyclo[2.2.1]hept-5-enyl)-2,2,4,4-tetrafluoropentan-3-ol
CID 20734469
3,3,5,5-Tetrafluoro-4-methyltricyclo[5.2.1.02,6]dec-8-en-4-ol
CID 20734472
5-[3,3,3-Trifluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-ene
CID 20743866
1,1,1,3,3,3-Hexafluoro-2-[3-(1-fluoroethenyl)-4-prop-2-enylcyclopentyl]propan-2-ol
CID 20760661
2-(2-Bicyclo[2.2.1]hept-2-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20760919

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol (CID 58894685) is 1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol is CC(O)(C(F)(F)F)C1(F)CC2C=CC1C2.
What is the InChIKey of 1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol?
The InChIKey is QHMUUSBUQBDTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4O/c1-8(15,10(12,13)14)9(11)5-6-2-3-7(9)4-6/h2-3,6-7,15H,4-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol?
1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol has a molecular weight of 224.20 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2-fluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol is sourced from PubChem (CID 58894685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).