1,1,1-trifluoro-3-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol

C13H20F4O — CID 58051828

IUPAC1,1,1-trifluoro-3-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol
SMILESCC1C2CC(C1C)C(F)(CC(C)(O)C(F)(F)F)C2
InChIInChI=1S/C13H20F4O/c1-7-8(2)10-4-9(7)5-12(10,14)6-11(3,18)13(15,16)17/h7-10,18H,4-6H2,1-3H3
InChIKeyFGPOYJAQWDZKPU-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.71
Rot. Bonds2

About 1,1,1-trifluoro-3-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol

1,1,1-trifluoro-3-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol (PubChem CID 58051828) has the molecular formula C13H20F4O and a molecular weight of 268.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol
PubChem CID58051828
Molecular FormulaC13H20F4O
Molecular Weight268.29 g/mol
Exact Mass268.15
IUPAC Name1,1,1-trifluoro-3-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol
SMILESCC1C2CC(C1C)C(F)(CC(C)(O)C(F)(F)F)C2
InChIInChI=1S/C13H20F4O/c1-7-8(2)10-4-9(7)5-12(10,14)6-11(3,18)13(15,16)17/h7-10,18H,4-6H2,1-3H3
InChIKeyFGPOYJAQWDZKPU-UHFFFAOYSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol (CID 58051828) is 1,1,1-trifluoro-3-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol is CC1C2CC(C1C)C(F)(CC(C)(O)C(F)(F)F)C2.
What is the InChIKey of 1,1,1-trifluoro-3-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol?
The InChIKey is FGPOYJAQWDZKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F4O/c1-7-8(2)10-4-9(7)5-12(10,14)6-11(3,18)13(15,16)17/h7-10,18H,4-6H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-3-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol?
1,1,1-trifluoro-3-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol has a molecular weight of 268.29 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-methylpropan-2-ol is sourced from PubChem (CID 58051828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).