3-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol

C13H20F4O — CID 20734465

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol
SMILESCC(F)(F)C(O)(CC1CC2CCC1C2)C(C)(F)F
InChIInChI=1S/C13H20F4O/c1-11(14,15)13(18,12(2,16)17)7-10-6-8-3-4-9(10)5-8/h8-10,18H,3-7H2,1-2H3
InChIKeyZOOXMYHCJSDLON-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.85
Rot. Bonds4

About 3-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol

3-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol (PubChem CID 20734465) has the molecular formula C13H20F4O and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol
PubChem CID20734465
Molecular FormulaC13H20F4O
Molecular Weight268.29 g/mol
Exact Mass268.15
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol
SMILESCC(F)(F)C(O)(CC1CC2CCC1C2)C(C)(F)F
InChIInChI=1S/C13H20F4O/c1-11(14,15)13(18,12(2,16)17)7-10-6-8-3-4-9(10)5-8/h8-10,18H,3-7H2,1-2H3
InChIKeyZOOXMYHCJSDLON-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol (CID 20734465) is 3-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol is CC(F)(F)C(O)(CC1CC2CCC1C2)C(C)(F)F.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol?
The InChIKey is ZOOXMYHCJSDLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F4O/c1-11(14,15)13(18,12(2,16)17)7-10-6-8-3-4-9(10)5-8/h8-10,18H,3-7H2,1-2H3.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol?
3-(2-bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol has a molecular weight of 268.29 g/mol, XLogP of 3.85, 4 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]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol is sourced from PubChem (CID 20734465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).