2-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C13H18F6O — CID 20756279

IUPAC2-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC1(C)C2CCC(C2)C1CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H18F6O/c1-10(2)8-4-3-7(5-8)9(10)6-11(20,12(14,15)16)13(17,18)19/h7-9,20H,3-6H2,1-2H3
InChIKeyFPWVQFWNPAKCCL-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.30
Rot. Bonds2

About 2-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 20756279) has the molecular formula C13H18F6O and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID20756279
Molecular FormulaC13H18F6O
Molecular Weight304.27 g/mol
Exact Mass304.13
IUPAC Name2-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC1(C)C2CCC(C2)C1CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H18F6O/c1-10(2)8-4-3-7(5-8)9(10)6-11(20,12(14,15)16)13(17,18)19/h7-9,20H,3-6H2,1-2H3
InChIKeyFPWVQFWNPAKCCL-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 20756279) is 2-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CC1(C)C2CCC(C2)C1CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is FPWVQFWNPAKCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F6O/c1-10(2)8-4-3-7(5-8)9(10)6-11(20,12(14,15)16)13(17,18)19/h7-9,20H,3-6H2,1-2H3.
What are the key properties of 2-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 304.27 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 20756279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).