1,1,1,3,3,3-hexafluoro-2-[(2,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol

C14H20F6O — CID 20756242

IUPAC1,1,1,3,3,3-hexafluoro-2-[(2,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol
SMILESCC1C2CC(C1C)C(C)(CC(O)(C(F)(F)F)C(F)(F)F)C2
InChIInChI=1S/C14H20F6O/c1-7-8(2)10-4-9(7)5-11(10,3)6-12(21,13(15,16)17)14(18,19)20/h7-10,21H,4-6H2,1-3H3
InChIKeyNKOZKFFFSPWHPQ-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.55
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-[(2,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[(2,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol (PubChem CID 20756242) has the molecular formula C14H20F6O and a molecular weight of 318.30 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[(2,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[(2,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol
PubChem CID20756242
Molecular FormulaC14H20F6O
Molecular Weight318.30 g/mol
Exact Mass318.14
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[(2,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol
SMILESCC1C2CC(C1C)C(C)(CC(O)(C(F)(F)F)C(F)(F)F)C2
InChIInChI=1S/C14H20F6O/c1-7-8(2)10-4-9(7)5-11(10,3)6-12(21,13(15,16)17)14(18,19)20/h7-10,21H,4-6H2,1-3H3
InChIKeyNKOZKFFFSPWHPQ-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(2,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(2,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol (CID 20756242) is 1,1,1,3,3,3-hexafluoro-2-[(2,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[(2,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[(2,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol is CC1C2CC(C1C)C(C)(CC(O)(C(F)(F)F)C(F)(F)F)C2.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[(2,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol?
The InChIKey is NKOZKFFFSPWHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F6O/c1-7-8(2)10-4-9(7)5-11(10,3)6-12(21,13(15,16)17)14(18,19)20/h7-10,21H,4-6H2,1-3H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[(2,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[(2,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol has a molecular weight of 318.30 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[(2,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-ol is sourced from PubChem (CID 20756242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).