(4,4-difluoropiperidin-3-yl)methanol;ethane

C8H17F2NO — CID 156750006

IUPAC(4,4-difluoropiperidin-3-yl)methanol;ethane
SMILESCC.OCC1CNCCC1(F)F
InChIInChI=1S/C6H11F2NO.C2H6/c7-6(8)1-2-9-3-5(6)4-10;1-2/h5,9-10H,1-4H2;1-2H3
InChIKeyYKOGASZGFNMHAY-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.25
Rot. Bonds1

About (4,4-difluoropiperidin-3-yl)methanol;ethane

(4,4-difluoropiperidin-3-yl)methanol;ethane (PubChem CID 156750006) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is (4,4-difluoropiperidin-3-yl)methanol;ethane.

Molecular Properties

Compound Name(4,4-difluoropiperidin-3-yl)methanol;ethane
PubChem CID156750006
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name(4,4-difluoropiperidin-3-yl)methanol;ethane
SMILESCC.OCC1CNCCC1(F)F
InChIInChI=1S/C6H11F2NO.C2H6/c7-6(8)1-2-9-3-5(6)4-10;1-2/h5,9-10H,1-4H2;1-2H3
InChIKeyYKOGASZGFNMHAY-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-3-yl)methanol;ethane?
The IUPAC name of (4,4-difluoropiperidin-3-yl)methanol;ethane (CID 156750006) is (4,4-difluoropiperidin-3-yl)methanol;ethane.
What is the SMILES notation for (4,4-difluoropiperidin-3-yl)methanol;ethane?
The canonical SMILES for (4,4-difluoropiperidin-3-yl)methanol;ethane is CC.OCC1CNCCC1(F)F.
What is the InChIKey of (4,4-difluoropiperidin-3-yl)methanol;ethane?
The InChIKey is YKOGASZGFNMHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO.C2H6/c7-6(8)1-2-9-3-5(6)4-10;1-2/h5,9-10H,1-4H2;1-2H3.
What are the key properties of (4,4-difluoropiperidin-3-yl)methanol;ethane?
(4,4-difluoropiperidin-3-yl)methanol;ethane has a molecular weight of 181.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-3-yl)methanol;ethane is sourced from PubChem (CID 156750006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).