5-(1,1-difluoroethyl)-2-methylpyridine;ethane

C12H21F2N — CID 145136619

IUPAC5-(1,1-difluoroethyl)-2-methylpyridine;ethane
SMILESCC.CC.Cc1ccc(C(C)(F)F)cn1
InChIInChI=1S/C8H9F2N.2C2H6/c1-6-3-4-7(5-11-6)8(2,9)10;2*1-2/h3-5H,1-2H3;2*1-2H3
InChIKeyICVOFXIOBGKGST-UHFFFAOYSA-N
MW217.30 g/mol
LogP4.55
Rot. Bonds1

About 5-(1,1-difluoroethyl)-2-methylpyridine;ethane

5-(1,1-difluoroethyl)-2-methylpyridine;ethane (PubChem CID 145136619) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-methylpyridine;ethane.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-methylpyridine;ethane
PubChem CID145136619
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC Name5-(1,1-difluoroethyl)-2-methylpyridine;ethane
SMILESCC.CC.Cc1ccc(C(C)(F)F)cn1
InChIInChI=1S/C8H9F2N.2C2H6/c1-6-3-4-7(5-11-6)8(2,9)10;2*1-2/h3-5H,1-2H3;2*1-2H3
InChIKeyICVOFXIOBGKGST-UHFFFAOYSA-N
XLogP4.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2-methylpyridine;ethane?
The IUPAC name of 5-(1,1-difluoroethyl)-2-methylpyridine;ethane (CID 145136619) is 5-(1,1-difluoroethyl)-2-methylpyridine;ethane.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-methylpyridine;ethane?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-methylpyridine;ethane is CC.CC.Cc1ccc(C(C)(F)F)cn1.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-methylpyridine;ethane?
The InChIKey is ICVOFXIOBGKGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N.2C2H6/c1-6-3-4-7(5-11-6)8(2,9)10;2*1-2/h3-5H,1-2H3;2*1-2H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-methylpyridine;ethane?
5-(1,1-difluoroethyl)-2-methylpyridine;ethane has a molecular weight of 217.30 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-methylpyridine;ethane is sourced from PubChem (CID 145136619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).