butane;1-hexyl-4-(1,1,2,2-tetrafluoroethoxy)benzene

C18H28F4O — CID 143474263

IUPACbutane;1-hexyl-4-(1,1,2,2-tetrafluoroethoxy)benzene
SMILESCCCC.CCCCCCc1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C14H18F4O.C4H10/c1-2-3-4-5-6-11-7-9-12(10-8-11)19-14(17,18)13(15)16;1-3-4-2/h7-10,13H,2-6H2,1H3;3-4H2,1-2H3
InChIKeyWZAQBYWGGZZDTN-UHFFFAOYSA-N
MW336.41 g/mol
LogP6.85
Rot. Bonds9

About butane;1-hexyl-4-(1,1,2,2-tetrafluoroethoxy)benzene

butane;1-hexyl-4-(1,1,2,2-tetrafluoroethoxy)benzene (PubChem CID 143474263) has the molecular formula C18H28F4O and a molecular weight of 336.41 g/mol. Its IUPAC name is butane;1-hexyl-4-(1,1,2,2-tetrafluoroethoxy)benzene.

Molecular Properties

Compound Namebutane;1-hexyl-4-(1,1,2,2-tetrafluoroethoxy)benzene
PubChem CID143474263
Molecular FormulaC18H28F4O
Molecular Weight336.41 g/mol
Exact Mass336.21
IUPAC Namebutane;1-hexyl-4-(1,1,2,2-tetrafluoroethoxy)benzene
SMILESCCCC.CCCCCCc1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C14H18F4O.C4H10/c1-2-3-4-5-6-11-7-9-12(10-8-11)19-14(17,18)13(15)16;1-3-4-2/h7-10,13H,2-6H2,1H3;3-4H2,1-2H3
InChIKeyWZAQBYWGGZZDTN-UHFFFAOYSA-N
XLogP6.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.41
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-hexyl-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidine;5-octyl-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidine
CID 88635473
1-heptyl-3-(1,1,2,2-tetrafluoroethoxy)benzene
CID 59545774
1-[difluoro-(4-heptylphenoxy)methyl]-4-[difluoro-(4-nonylphenoxy)methyl]benzene
CID 70177776
1-[difluoro-(4-hexylphenoxy)methyl]-4-[difluoro-(4-pentylphenoxy)methyl]benzene
CID 70178127
1-butyl-4-[[4-[difluoro-(4-heptylphenoxy)methyl]phenyl]-difluoromethoxy]benzene
CID 70176932
1-[difluoro-(4-nonylphenoxy)methyl]-4-[difluoro-(4-propylphenoxy)methyl]benzene
CID 70176896
1-hexyl-4-[4-[2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethynyl]cyclohexyl]benzene
CID 19810267
1-pentyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethyl]phenyl]benzene
CID 18984117
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
1-(difluoromethoxy)-4-(4-heptylphenyl)benzene
CID 19436442
2,3-difluoro-1-(4-hexylphenyl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388526
1-(1,1,2,3,3,3-hexafluoropropoxy)-4-[2-[4-(4-pentylphenyl)cyclohexyl]ethyl]benzene
CID 22080337

Frequently Asked Questions

What is the IUPAC name of butane;1-hexyl-4-(1,1,2,2-tetrafluoroethoxy)benzene?
The IUPAC name of butane;1-hexyl-4-(1,1,2,2-tetrafluoroethoxy)benzene (CID 143474263) is butane;1-hexyl-4-(1,1,2,2-tetrafluoroethoxy)benzene.
What is the SMILES notation for butane;1-hexyl-4-(1,1,2,2-tetrafluoroethoxy)benzene?
The canonical SMILES for butane;1-hexyl-4-(1,1,2,2-tetrafluoroethoxy)benzene is CCCC.CCCCCCc1ccc(OC(F)(F)C(F)F)cc1.
What is the InChIKey of butane;1-hexyl-4-(1,1,2,2-tetrafluoroethoxy)benzene?
The InChIKey is WZAQBYWGGZZDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4O.C4H10/c1-2-3-4-5-6-11-7-9-12(10-8-11)19-14(17,18)13(15)16;1-3-4-2/h7-10,13H,2-6H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;1-hexyl-4-(1,1,2,2-tetrafluoroethoxy)benzene?
butane;1-hexyl-4-(1,1,2,2-tetrafluoroethoxy)benzene has a molecular weight of 336.41 g/mol, XLogP of 6.85, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-hexyl-4-(1,1,2,2-tetrafluoroethoxy)benzene is sourced from PubChem (CID 143474263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).