1-butyl-3-methyl-2H-pyridine;fluoroform

C11H18F3N — CID 159896996

IUPAC1-butyl-3-methyl-2H-pyridine;fluoroform
SMILESCCCCN1C=CC=C(C)C1.FC(F)F
InChIInChI=1S/C10H17N.CHF3/c1-3-4-7-11-8-5-6-10(2)9-11;2-1(3)4/h5-6,8H,3-4,7,9H2,1-2H3;1H
InChIKeyNVLVXCCCTMOXMO-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.74
Rot. Bonds3

About 1-butyl-3-methyl-2H-pyridine;fluoroform

1-butyl-3-methyl-2H-pyridine;fluoroform (PubChem CID 159896996) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is 1-butyl-3-methyl-2H-pyridine;fluoroform.

Molecular Properties

Compound Name1-butyl-3-methyl-2H-pyridine;fluoroform
PubChem CID159896996
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name1-butyl-3-methyl-2H-pyridine;fluoroform
SMILESCCCCN1C=CC=C(C)C1.FC(F)F
InChIInChI=1S/C10H17N.CHF3/c1-3-4-7-11-8-5-6-10(2)9-11;2-1(3)4/h5-6,8H,3-4,7,9H2,1-2H3;1H
InChIKeyNVLVXCCCTMOXMO-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-2H-pyridine;fluoroform?
The IUPAC name of 1-butyl-3-methyl-2H-pyridine;fluoroform (CID 159896996) is 1-butyl-3-methyl-2H-pyridine;fluoroform.
What is the SMILES notation for 1-butyl-3-methyl-2H-pyridine;fluoroform?
The canonical SMILES for 1-butyl-3-methyl-2H-pyridine;fluoroform is CCCCN1C=CC=C(C)C1.FC(F)F.
What is the InChIKey of 1-butyl-3-methyl-2H-pyridine;fluoroform?
The InChIKey is NVLVXCCCTMOXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.CHF3/c1-3-4-7-11-8-5-6-10(2)9-11;2-1(3)4/h5-6,8H,3-4,7,9H2,1-2H3;1H.
What are the key properties of 1-butyl-3-methyl-2H-pyridine;fluoroform?
1-butyl-3-methyl-2H-pyridine;fluoroform has a molecular weight of 221.27 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-2H-pyridine;fluoroform is sourced from PubChem (CID 159896996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).