2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol

C10H13F5O2 — CID 58589812

IUPAC2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol
SMILESOC(C(F)(F)F)C(F)(F)C1(O)CC2CCC1C2
InChIInChI=1S/C10H13F5O2/c11-9(12,7(16)10(13,14)15)8(17)4-5-1-2-6(8)3-5/h5-7,16-17H,1-4H2
InChIKeyRWMHKWVOPAHRQZ-UHFFFAOYSA-N
MW260.20 g/mol
LogP2.10
Rot. Bonds2

About 2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol

2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 58589812) has the molecular formula C10H13F5O2 and a molecular weight of 260.20 g/mol. Its IUPAC name is 2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID58589812
Molecular FormulaC10H13F5O2
Molecular Weight260.20 g/mol
Exact Mass260.08
IUPAC Name2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol
SMILESOC(C(F)(F)F)C(F)(F)C1(O)CC2CCC1C2
InChIInChI=1S/C10H13F5O2/c11-9(12,7(16)10(13,14)15)8(17)4-5-1-2-6(8)3-5/h5-7,16-17H,1-4H2
InChIKeyRWMHKWVOPAHRQZ-UHFFFAOYSA-N
XLogP2.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Norbornanol, 3-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-
CID 297765
2-Norbornanol, 3-(1,3-dichloro-2-hydroxy-1,1,3,3-tetrafluoro-2-propyl)-
CID 299402
2-(Trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
CID 14388171
6-(Hydroxymethyl)bicyclo[2.2.1]heptan-2-ol
CID 281321
(1R,2S,3S,4R,5R)-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane-2,3-diol;hydrate
CID 139089787
2,3,3,4,4,5,5,6-Octafluorotricyclo[5.2.1.02,6]decan-8-ol
CID 12040131
5,5,6,6-Tetrakis(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
CID 13395542
3,3-Difluoro-2-(trifluoromethyl)bicyclo[2.2.1]heptan-2-ol
CID 18439566
2,3-Dihydroxy-5-(perfluorohexyl)bicyclo[2.2.1]heptane
CID 19097005
5-(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl)bicyclo[2.2.1]heptane-2,3-diol
CID 19097006
5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)bicyclo[2.2.1]heptane-2,3-diol
CID 19097007
2,3-Dihydroxy-5,6,6-trifluoro-5-(trifluoromethyl)bicyclo[2.2.1]heptane
CID 19097010

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol (CID 58589812) is 2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol is OC(C(F)(F)F)C(F)(F)C1(O)CC2CCC1C2.
What is the InChIKey of 2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is RWMHKWVOPAHRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F5O2/c11-9(12,7(16)10(13,14)15)8(17)4-5-1-2-6(8)3-5/h5-7,16-17H,1-4H2.
What are the key properties of 2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol?
2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 260.20 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 58589812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).