(2-Fluoro-5-norbornene-2-yl)-1,1,1,3,3,3-hexafluoro-2-propanol

C10H9F7O — CID 21946965

IUPAC1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol
SMILESC1C2CC(C1C=C2)(C(C(F)(F)F)(C(F)(F)F)O)F
InChIInChI=1S/C10H9F7O/c11-7(4-5-1-2-6(7)3-5)8(18,9(12,13)14)10(15,16)17/h1-2,5-6,18H,3-4H2
InChIKeyGCGWKUMJDMMUIE-UHFFFAOYSA-N
MW278.17 g/mol
LogP3.10
Rot. Bonds1

About (2-Fluoro-5-norbornene-2-yl)-1,1,1,3,3,3-hexafluoro-2-propanol

(2-Fluoro-5-norbornene-2-yl)-1,1,1,3,3,3-hexafluoro-2-propanol (PubChem CID 21946965) has the molecular formula C10H9F7O and a molecular weight of 278.17 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol.

Molecular Properties

Compound Name(2-Fluoro-5-norbornene-2-yl)-1,1,1,3,3,3-hexafluoro-2-propanol
PubChem CID21946965
Molecular FormulaC10H9F7O
Molecular Weight278.17 g/mol
Exact Mass278.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol
SMILESC1C2CC(C1C=C2)(C(C(F)(F)F)(C(F)(F)F)O)F
InChIInChI=1S/C10H9F7O/c11-7(4-5-1-2-6(7)3-5)8(18,9(12,13)14)10(15,16)17/h1-2,5-6,18H,3-4H2
InChIKeyGCGWKUMJDMMUIE-UHFFFAOYSA-N
XLogP3.10
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms18
Complexity369

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2-Fluoro-5-norbornene-2-yl)-1,1,1,3,3,3-hexafluoro-2-propanol with MolForge

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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
3,3,4-Trifluoro-4-(trifluoromethoxy)tricyclo[4.2.1.02,5]non-7-ene
CID 20754261
1,1,1,3,3,3-Hexafluoro-2-[3-(1-fluoroethenyl)-4-prop-2-enylcyclopentyl]propan-2-ol
CID 20760661

Frequently Asked Questions

What is the IUPAC name of (2-Fluoro-5-norbornene-2-yl)-1,1,1,3,3,3-hexafluoro-2-propanol?
The IUPAC name of (2-Fluoro-5-norbornene-2-yl)-1,1,1,3,3,3-hexafluoro-2-propanol (CID 21946965) is 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol.
What is the SMILES notation for (2-Fluoro-5-norbornene-2-yl)-1,1,1,3,3,3-hexafluoro-2-propanol?
The canonical SMILES for (2-Fluoro-5-norbornene-2-yl)-1,1,1,3,3,3-hexafluoro-2-propanol is C1C2CC(C1C=C2)(C(C(F)(F)F)(C(F)(F)F)O)F.
What is the InChIKey of (2-Fluoro-5-norbornene-2-yl)-1,1,1,3,3,3-hexafluoro-2-propanol?
The InChIKey is GCGWKUMJDMMUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F7O/c11-7(4-5-1-2-6(7)3-5)8(18,9(12,13)14)10(15,16)17/h1-2,5-6,18H,3-4H2.
What are the key properties of (2-Fluoro-5-norbornene-2-yl)-1,1,1,3,3,3-hexafluoro-2-propanol?
(2-Fluoro-5-norbornene-2-yl)-1,1,1,3,3,3-hexafluoro-2-propanol has a molecular weight of 278.17 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-Fluoro-5-norbornene-2-yl)-1,1,1,3,3,3-hexafluoro-2-propanol is sourced from PubChem (CID 21946965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).