butane;2-ethyl-3-propylpyridine;3-methylhexane;1-methyl-4-(trifluoromethyl)benzene

C29H48F3N — CID 169205049

IUPACbutane;2-ethyl-3-propylpyridine;3-methylhexane;1-methyl-4-(trifluoromethyl)benzene
SMILESCCCC.CCCC(C)CC.CCCc1cccnc1CC.Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H15N.C8H7F3.C7H16.C4H10/c1-3-6-9-7-5-8-11-10(9)4-2;1-6-2-4-7(5-3-6)8(9,10)11;1-4-6-7(3)5-2;1-3-4-2/h5,7-8H,3-4,6H2,1-2H3;2-5H,1H3;7H,4-6H2,1-3H3;3-4H2,1-2H3
InChIKeyFGXYHQGPFAXHBH-UHFFFAOYSA-N
MW467.70 g/mol
LogP10.25
Rot. Bonds7

About butane;2-ethyl-3-propylpyridine;3-methylhexane;1-methyl-4-(trifluoromethyl)benzene

butane;2-ethyl-3-propylpyridine;3-methylhexane;1-methyl-4-(trifluoromethyl)benzene (PubChem CID 169205049) has the molecular formula C29H48F3N and a molecular weight of 467.70 g/mol. Its IUPAC name is butane;2-ethyl-3-propylpyridine;3-methylhexane;1-methyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Namebutane;2-ethyl-3-propylpyridine;3-methylhexane;1-methyl-4-(trifluoromethyl)benzene
PubChem CID169205049
Molecular FormulaC29H48F3N
Molecular Weight467.70 g/mol
Exact Mass467.37
IUPAC Namebutane;2-ethyl-3-propylpyridine;3-methylhexane;1-methyl-4-(trifluoromethyl)benzene
SMILESCCCC.CCCC(C)CC.CCCc1cccnc1CC.Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H15N.C8H7F3.C7H16.C4H10/c1-3-6-9-7-5-8-11-10(9)4-2;1-6-2-4-7(5-3-6)8(9,10)11;1-4-6-7(3)5-2;1-3-4-2/h5,7-8H,3-4,6H2,1-2H3;2-5H,1H3;7H,4-6H2,1-3H3;3-4H2,1-2H3
InChIKeyFGXYHQGPFAXHBH-UHFFFAOYSA-N
XLogP10.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.70
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;2-ethyl-3-propylpyridine;3-methylhexane;1-methyl-4-(trifluoromethyl)benzene?
The IUPAC name of butane;2-ethyl-3-propylpyridine;3-methylhexane;1-methyl-4-(trifluoromethyl)benzene (CID 169205049) is butane;2-ethyl-3-propylpyridine;3-methylhexane;1-methyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for butane;2-ethyl-3-propylpyridine;3-methylhexane;1-methyl-4-(trifluoromethyl)benzene?
The canonical SMILES for butane;2-ethyl-3-propylpyridine;3-methylhexane;1-methyl-4-(trifluoromethyl)benzene is CCCC.CCCC(C)CC.CCCc1cccnc1CC.Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of butane;2-ethyl-3-propylpyridine;3-methylhexane;1-methyl-4-(trifluoromethyl)benzene?
The InChIKey is FGXYHQGPFAXHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C8H7F3.C7H16.C4H10/c1-3-6-9-7-5-8-11-10(9)4-2;1-6-2-4-7(5-3-6)8(9,10)11;1-4-6-7(3)5-2;1-3-4-2/h5,7-8H,3-4,6H2,1-2H3;2-5H,1H3;7H,4-6H2,1-3H3;3-4H2,1-2H3.
What are the key properties of butane;2-ethyl-3-propylpyridine;3-methylhexane;1-methyl-4-(trifluoromethyl)benzene?
butane;2-ethyl-3-propylpyridine;3-methylhexane;1-methyl-4-(trifluoromethyl)benzene has a molecular weight of 467.70 g/mol, XLogP of 10.25, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-ethyl-3-propylpyridine;3-methylhexane;1-methyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 169205049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).