fluoroform;1-hexyl-2H-pyridine

C12H20F3N — CID 174754977

IUPACfluoroform;1-hexyl-2H-pyridine
SMILESCCCCCCN1C=CC=CC1.FC(F)F
InChIInChI=1S/C11H19N.CHF3/c1-2-3-4-6-9-12-10-7-5-8-11-12;2-1(3)4/h5,7-8,10H,2-4,6,9,11H2,1H3;1H
InChIKeyAWALYBGRQAGVCU-UHFFFAOYSA-N
MW235.29 g/mol
LogP4.13
Rot. Bonds5

About fluoroform;1-hexyl-2H-pyridine

fluoroform;1-hexyl-2H-pyridine (PubChem CID 174754977) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is fluoroform;1-hexyl-2H-pyridine.

Molecular Properties

Compound Namefluoroform;1-hexyl-2H-pyridine
PubChem CID174754977
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Namefluoroform;1-hexyl-2H-pyridine
SMILESCCCCCCN1C=CC=CC1.FC(F)F
InChIInChI=1S/C11H19N.CHF3/c1-2-3-4-6-9-12-10-7-5-8-11-12;2-1(3)4/h5,7-8,10H,2-4,6,9,11H2,1H3;1H
InChIKeyAWALYBGRQAGVCU-UHFFFAOYSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Octylpyridine
CID 19876511
N-decylpyridine
CID 70479842
1-Hexyl-3-methyl pyridine
CID 141117286
1-cyclohexyl-2-fluoro-2H-pyridine
CID 150138531
1-(3,3,4,4,5,5,5-heptafluoropentyl)-2H-pyridine
CID 154629273
1-butyl-4-methyl-2H-pyridine;fluoroform
CID 158677793
1-butyl-3-methyl-2H-pyridine;fluoroform
CID 159896996
1-ethyl-2H-pyridine;fluoroform
CID 160169384
1-(3,3-difluorocyclohexyl)-2-fluoro-2H-pyridine
CID 151221885
1-hexyl-1-methyl-2H-pyridin-1-ium chloride
CID 19884490
1-hexyl-1-methyl-2H-pyridin-1-ium
CID 19884491
1-hexyl-2H-pyridine
CID 20042076

Frequently Asked Questions

What is the IUPAC name of fluoroform;1-hexyl-2H-pyridine?
The IUPAC name of fluoroform;1-hexyl-2H-pyridine (CID 174754977) is fluoroform;1-hexyl-2H-pyridine.
What is the SMILES notation for fluoroform;1-hexyl-2H-pyridine?
The canonical SMILES for fluoroform;1-hexyl-2H-pyridine is CCCCCCN1C=CC=CC1.FC(F)F.
What is the InChIKey of fluoroform;1-hexyl-2H-pyridine?
The InChIKey is AWALYBGRQAGVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N.CHF3/c1-2-3-4-6-9-12-10-7-5-8-11-12;2-1(3)4/h5,7-8,10H,2-4,6,9,11H2,1H3;1H.
What are the key properties of fluoroform;1-hexyl-2H-pyridine?
fluoroform;1-hexyl-2H-pyridine has a molecular weight of 235.29 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroform;1-hexyl-2H-pyridine is sourced from PubChem (CID 174754977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).