(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanol

C9H17F2NO — CID 176992412

IUPAC(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanol
SMILESCC(C)C1NC(CO)CCC1(F)F
InChIInChI=1S/C9H17F2NO/c1-6(2)8-9(10,11)4-3-7(5-13)12-8/h6-8,12-13H,3-5H2,1-2H3
InChIKeyOCAZVQXABUIZGB-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.39
Rot. Bonds2

About (5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanol

(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanol (PubChem CID 176992412) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanol.

Molecular Properties

Compound Name(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanol
PubChem CID176992412
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanol
SMILESCC(C)C1NC(CO)CCC1(F)F
InChIInChI=1S/C9H17F2NO/c1-6(2)8-9(10,11)4-3-7(5-13)12-8/h6-8,12-13H,3-5H2,1-2H3
InChIKeyOCAZVQXABUIZGB-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanol?
The IUPAC name of (5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanol (CID 176992412) is (5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanol.
What is the SMILES notation for (5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanol?
The canonical SMILES for (5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanol is CC(C)C1NC(CO)CCC1(F)F.
What is the InChIKey of (5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanol?
The InChIKey is OCAZVQXABUIZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-6(2)8-9(10,11)4-3-7(5-13)12-8/h6-8,12-13H,3-5H2,1-2H3.
What are the key properties of (5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanol?
(5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanol has a molecular weight of 193.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-difluoro-6-propan-2-ylpiperidin-2-yl)methanol is sourced from PubChem (CID 176992412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).