5-butan-2-yl-2-(1,2-difluoroethyl)pyridine

C11H15F2N — CID 170109541

IUPAC5-butan-2-yl-2-(1,2-difluoroethyl)pyridine
SMILESCCC(C)c1ccc(C(F)CF)nc1
InChIInChI=1S/C11H15F2N/c1-3-8(2)9-4-5-11(14-7-9)10(13)6-12/h4-5,7-8,10H,3,6H2,1-2H3
InChIKeyZLNBPNRNCUQWLA-UHFFFAOYSA-N
MW199.24 g/mol
LogP3.58
Rot. Bonds4

About 5-butan-2-yl-2-(1,2-difluoroethyl)pyridine

5-butan-2-yl-2-(1,2-difluoroethyl)pyridine (PubChem CID 170109541) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is 5-butan-2-yl-2-(1,2-difluoroethyl)pyridine.

Molecular Properties

Compound Name5-butan-2-yl-2-(1,2-difluoroethyl)pyridine
PubChem CID170109541
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name5-butan-2-yl-2-(1,2-difluoroethyl)pyridine
SMILESCCC(C)c1ccc(C(F)CF)nc1
InChIInChI=1S/C11H15F2N/c1-3-8(2)9-4-5-11(14-7-9)10(13)6-12/h4-5,7-8,10H,3,6H2,1-2H3
InChIKeyZLNBPNRNCUQWLA-UHFFFAOYSA-N
XLogP3.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 66695263
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CID 175620660
CID 175620660
1-butan-2-yl-4-fluorobenzene
CID 11829648
5-(1,2-difluoroethyl)-2-propan-2-ylpyrimidine
CID 176649770
2-butan-2-yl-5-(2-methylbutan-2-yl)pyridine
CID 90395896
1-(5-butan-2-yl-2-pyridinyl)-4-ethylpiperidin-4-ol
CID 71111995
2-(4,4-dimethylpentan-2-yl)-5-propan-2-ylpyridine
CID 157318275
1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 4962685
2,9-di(butan-2-yl)-1,7-phenanthroline
CID 118045073
(2S,6R)-4-(5-butan-2-yl-2-pyridinyl)-2,6-dimethylmorpholine
CID 71155007
2-[chloro(fluoro)methyl]-5-(1-methylsulfanylethyl)pyridine
CID 143527381

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-(1,2-difluoroethyl)pyridine?
The IUPAC name of 5-butan-2-yl-2-(1,2-difluoroethyl)pyridine (CID 170109541) is 5-butan-2-yl-2-(1,2-difluoroethyl)pyridine.
What is the SMILES notation for 5-butan-2-yl-2-(1,2-difluoroethyl)pyridine?
The canonical SMILES for 5-butan-2-yl-2-(1,2-difluoroethyl)pyridine is CCC(C)c1ccc(C(F)CF)nc1.
What is the InChIKey of 5-butan-2-yl-2-(1,2-difluoroethyl)pyridine?
The InChIKey is ZLNBPNRNCUQWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-3-8(2)9-4-5-11(14-7-9)10(13)6-12/h4-5,7-8,10H,3,6H2,1-2H3.
What are the key properties of 5-butan-2-yl-2-(1,2-difluoroethyl)pyridine?
5-butan-2-yl-2-(1,2-difluoroethyl)pyridine has a molecular weight of 199.24 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-(1,2-difluoroethyl)pyridine is sourced from PubChem (CID 170109541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).