1,1,1,3,3-pentafluoro-2-piperidin-4-ylbutan-2-ol

C9H14F5NO — CID 129107645

IUPAC1,1,1,3,3-pentafluoro-2-piperidin-4-ylbutan-2-ol
SMILESCC(F)(F)C(O)(C1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H14F5NO/c1-7(10,11)8(16,9(12,13)14)6-2-4-15-5-3-6/h6,15-16H,2-5H2,1H3
InChIKeyIZLSDHFUMSHWLB-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.93
Rot. Bonds2

About 1,1,1,3,3-pentafluoro-2-piperidin-4-ylbutan-2-ol

1,1,1,3,3-pentafluoro-2-piperidin-4-ylbutan-2-ol (PubChem CID 129107645) has the molecular formula C9H14F5NO and a molecular weight of 247.21 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-2-piperidin-4-ylbutan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-2-piperidin-4-ylbutan-2-ol
PubChem CID129107645
Molecular FormulaC9H14F5NO
Molecular Weight247.21 g/mol
Exact Mass247.10
IUPAC Name1,1,1,3,3-pentafluoro-2-piperidin-4-ylbutan-2-ol
SMILESCC(F)(F)C(O)(C1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H14F5NO/c1-7(10,11)8(16,9(12,13)14)6-2-4-15-5-3-6/h6,15-16H,2-5H2,1H3
InChIKeyIZLSDHFUMSHWLB-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluoro-2-piperidin-4-ylbutan-2-ol?
The IUPAC name of 1,1,1,3,3-pentafluoro-2-piperidin-4-ylbutan-2-ol (CID 129107645) is 1,1,1,3,3-pentafluoro-2-piperidin-4-ylbutan-2-ol.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-2-piperidin-4-ylbutan-2-ol?
The canonical SMILES for 1,1,1,3,3-pentafluoro-2-piperidin-4-ylbutan-2-ol is CC(F)(F)C(O)(C1CCNCC1)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoro-2-piperidin-4-ylbutan-2-ol?
The InChIKey is IZLSDHFUMSHWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F5NO/c1-7(10,11)8(16,9(12,13)14)6-2-4-15-5-3-6/h6,15-16H,2-5H2,1H3.
What are the key properties of 1,1,1,3,3-pentafluoro-2-piperidin-4-ylbutan-2-ol?
1,1,1,3,3-pentafluoro-2-piperidin-4-ylbutan-2-ol has a molecular weight of 247.21 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoro-2-piperidin-4-ylbutan-2-ol is sourced from PubChem (CID 129107645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).