1,1,1,3,3,3-hexafluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propan-2-ol

C12H19F6NO — CID 58394511

IUPAC1,1,1,3,3,3-hexafluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propan-2-ol
SMILESCC(C)C1CCN(CC(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C12H19F6NO/c1-8(2)9-3-5-19(6-4-9)7-10(20,11(13,14)15)12(16,17)18/h8-9,20H,3-7H2,1-2H3
InChIKeyKKALZDOZGGTHKU-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.21
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propan-2-ol (PubChem CID 58394511) has the molecular formula C12H19F6NO and a molecular weight of 307.28 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propan-2-ol
PubChem CID58394511
Molecular FormulaC12H19F6NO
Molecular Weight307.28 g/mol
Exact Mass307.14
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propan-2-ol
SMILESCC(C)C1CCN(CC(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C12H19F6NO/c1-8(2)9-3-5-19(6-4-9)7-10(20,11(13,14)15)12(16,17)18/h8-9,20H,3-7H2,1-2H3
InChIKeyKKALZDOZGGTHKU-UHFFFAOYSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propan-2-ol (CID 58394511) is 1,1,1,3,3,3-hexafluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propan-2-ol is CC(C)C1CCN(CC(O)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propan-2-ol?
The InChIKey is KKALZDOZGGTHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F6NO/c1-8(2)9-3-5-19(6-4-9)7-10(20,11(13,14)15)12(16,17)18/h8-9,20H,3-7H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propan-2-ol has a molecular weight of 307.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propan-2-ol is sourced from PubChem (CID 58394511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).