(4-ethyl-3,3-difluoropiperidin-1-ium-4-yl)methanol

C8H16F2NO+ — CID 163379969

IUPAC(4-ethyl-3,3-difluoropiperidin-1-ium-4-yl)methanol
SMILESCCC1(CO)CC[NH2+]CC1(F)F
InChIInChI=1S/C8H15F2NO/c1-2-7(6-12)3-4-11-5-8(7,9)10/h11-12H,2-6H2,1H3/p+1
InChIKeyJURYQXJOYUEHPQ-UHFFFAOYSA-O
MW180.22 g/mol
LogP-0.02
Rot. Bonds2

About (4-ethyl-3,3-difluoropiperidin-1-ium-4-yl)methanol

(4-ethyl-3,3-difluoropiperidin-1-ium-4-yl)methanol (PubChem CID 163379969) has the molecular formula C8H16F2NO+ and a molecular weight of 180.22 g/mol. Its IUPAC name is (4-ethyl-3,3-difluoropiperidin-1-ium-4-yl)methanol.

Molecular Properties

Compound Name(4-ethyl-3,3-difluoropiperidin-1-ium-4-yl)methanol
PubChem CID163379969
Molecular FormulaC8H16F2NO+
Molecular Weight180.22 g/mol
Exact Mass180.12
IUPAC Name(4-ethyl-3,3-difluoropiperidin-1-ium-4-yl)methanol
SMILESCCC1(CO)CC[NH2+]CC1(F)F
InChIInChI=1S/C8H15F2NO/c1-2-7(6-12)3-4-11-5-8(7,9)10/h11-12H,2-6H2,1H3/p+1
InChIKeyJURYQXJOYUEHPQ-UHFFFAOYSA-O
XLogP-0.02
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3,3-difluoropiperidin-1-ium-4-yl)methanol?
The IUPAC name of (4-ethyl-3,3-difluoropiperidin-1-ium-4-yl)methanol (CID 163379969) is (4-ethyl-3,3-difluoropiperidin-1-ium-4-yl)methanol.
What is the SMILES notation for (4-ethyl-3,3-difluoropiperidin-1-ium-4-yl)methanol?
The canonical SMILES for (4-ethyl-3,3-difluoropiperidin-1-ium-4-yl)methanol is CCC1(CO)CC[NH2+]CC1(F)F.
What is the InChIKey of (4-ethyl-3,3-difluoropiperidin-1-ium-4-yl)methanol?
The InChIKey is JURYQXJOYUEHPQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15F2NO/c1-2-7(6-12)3-4-11-5-8(7,9)10/h11-12H,2-6H2,1H3/p+1.
What are the key properties of (4-ethyl-3,3-difluoropiperidin-1-ium-4-yl)methanol?
(4-ethyl-3,3-difluoropiperidin-1-ium-4-yl)methanol has a molecular weight of 180.22 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3,3-difluoropiperidin-1-ium-4-yl)methanol is sourced from PubChem (CID 163379969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).