2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1,1,3,3-pentafluoropropan-2-ol

C11H15F5O2 — CID 21111888

IUPAC2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1,1,3,3-pentafluoropropan-2-ol
SMILESOC(OCC1CC2CCC1C2)(C(F)F)C(F)(F)F
InChIInChI=1S/C11H15F5O2/c12-9(13)10(17,11(14,15)16)18-5-8-4-6-1-2-7(8)3-6/h6-9,17H,1-5H2
InChIKeyCRVPNYRZBITEEC-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.96
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1,1,3,3-pentafluoropropan-2-ol

2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1,1,3,3-pentafluoropropan-2-ol (PubChem CID 21111888) has the molecular formula C11H15F5O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1,1,3,3-pentafluoropropan-2-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1,1,3,3-pentafluoropropan-2-ol
PubChem CID21111888
Molecular FormulaC11H15F5O2
Molecular Weight274.23 g/mol
Exact Mass274.10
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1,1,3,3-pentafluoropropan-2-ol
SMILESOC(OCC1CC2CCC1C2)(C(F)F)C(F)(F)F
InChIInChI=1S/C11H15F5O2/c12-9(13)10(17,11(14,15)16)18-5-8-4-6-1-2-7(8)3-6/h6-9,17H,1-5H2
InChIKeyCRVPNYRZBITEEC-UHFFFAOYSA-N
XLogP2.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(Ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobicyclo[2.2.1]heptane
CID 20743916
2-[(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20873007
2-[2-(1-Ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]bicyclo[2.2.1]heptane
CID 21360392
2-[2-(1-Ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 21360393
2-[2-(Ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 22976670
2-[3-(1-Ethoxyethoxy)-4,4,4-trifluoro-3-(trifluoromethyl)butyl]-6-propan-2-ylbicyclo[2.2.1]heptane
CID 57611467
4-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-3,3-difluoro-2-(trifluoromethyl)oxolan-2-ol
CID 57676511
5-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-3,3-difluoro-2-(trifluoromethyl)oxolan-2-ol
CID 57676693
1-[[1-(2-Bicyclo[2.2.1]heptanyl)-2-fluoroethoxy]methoxy]-1,2,2,2-tetrafluoroethanol
CID 57983908
6-(2-Bicyclo[2.2.1]heptanyl)-5,5-difluoro-4-(trifluoromethyl)-1,3-dioxan-4-ol
CID 57983934
6,6-Difluoro-5-(trifluoromethyl)-4-oxatricyclo[6.2.1.02,7]undecan-5-ol
CID 57983947
4-(2-Bicyclo[2.2.1]heptanyl)-3,3-difluoro-2-(trifluoromethyl)oxolan-2-ol
CID 57983949

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1,1,3,3-pentafluoropropan-2-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1,1,3,3-pentafluoropropan-2-ol (CID 21111888) is 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1,1,3,3-pentafluoropropan-2-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1,1,3,3-pentafluoropropan-2-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1,1,3,3-pentafluoropropan-2-ol is OC(OCC1CC2CCC1C2)(C(F)F)C(F)(F)F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1,1,3,3-pentafluoropropan-2-ol?
The InChIKey is CRVPNYRZBITEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5O2/c12-9(13)10(17,11(14,15)16)18-5-8-4-6-1-2-7(8)3-6/h6-9,17H,1-5H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1,1,3,3-pentafluoropropan-2-ol?
2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1,1,3,3-pentafluoropropan-2-ol has a molecular weight of 274.23 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1,1,3,3-pentafluoropropan-2-ol is sourced from PubChem (CID 21111888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).