1,1-difluoro-2-piperidin-3-ylpropan-2-ol

C8H15F2NO — CID 80606036

IUPAC1,1-difluoro-2-piperidin-3-ylpropan-2-ol
SMILESCC(O)(C(F)F)C1CCCNC1
InChIInChI=1S/C8H15F2NO/c1-8(12,7(9)10)6-3-2-4-11-5-6/h6-7,11-12H,2-5H2,1H3
InChIKeyFTANIYFMEMFXJX-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.00
Rot. Bonds2

About 1,1-difluoro-2-piperidin-3-ylpropan-2-ol

1,1-difluoro-2-piperidin-3-ylpropan-2-ol (PubChem CID 80606036) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1,1-difluoro-2-piperidin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-2-piperidin-3-ylpropan-2-ol
PubChem CID80606036
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1,1-difluoro-2-piperidin-3-ylpropan-2-ol
SMILESCC(O)(C(F)F)C1CCCNC1
InChIInChI=1S/C8H15F2NO/c1-8(12,7(9)10)6-3-2-4-11-5-6/h6-7,11-12H,2-5H2,1H3
InChIKeyFTANIYFMEMFXJX-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-piperidin-3-ylpropan-2-ol?
The IUPAC name of 1,1-difluoro-2-piperidin-3-ylpropan-2-ol (CID 80606036) is 1,1-difluoro-2-piperidin-3-ylpropan-2-ol.
What is the SMILES notation for 1,1-difluoro-2-piperidin-3-ylpropan-2-ol?
The canonical SMILES for 1,1-difluoro-2-piperidin-3-ylpropan-2-ol is CC(O)(C(F)F)C1CCCNC1.
What is the InChIKey of 1,1-difluoro-2-piperidin-3-ylpropan-2-ol?
The InChIKey is FTANIYFMEMFXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-8(12,7(9)10)6-3-2-4-11-5-6/h6-7,11-12H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-2-piperidin-3-ylpropan-2-ol?
1,1-difluoro-2-piperidin-3-ylpropan-2-ol has a molecular weight of 179.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-piperidin-3-ylpropan-2-ol is sourced from PubChem (CID 80606036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).