1-butoxy-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene

C15H21F3O2 — CID 156765584

IUPAC1-butoxy-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
SMILESCCCCOc1ccccc1C(C)(CC(F)(F)F)OC
InChIInChI=1S/C15H21F3O2/c1-4-5-10-20-13-9-7-6-8-12(13)14(2,19-3)11-15(16,17)18/h6-9H,4-5,10-11H2,1-3H3
InChIKeyVAFOENJFZQRESH-UHFFFAOYSA-N
MW290.33 g/mol
LogP4.68
Rot. Bonds7

About 1-butoxy-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene

1-butoxy-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene (PubChem CID 156765584) has the molecular formula C15H21F3O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-butoxy-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene.

Molecular Properties

Compound Name1-butoxy-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
PubChem CID156765584
Molecular FormulaC15H21F3O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name1-butoxy-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
SMILESCCCCOc1ccccc1C(C)(CC(F)(F)F)OC
InChIInChI=1S/C15H21F3O2/c1-4-5-10-20-13-9-7-6-8-12(13)14(2,19-3)11-15(16,17)18/h6-9H,4-5,10-11H2,1-3H3
InChIKeyVAFOENJFZQRESH-UHFFFAOYSA-N
XLogP4.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-propoxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene
CID 156763303
1-methyl-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
CID 156764554
1-tert-butyl-2-heptoxybenzene
CID 64763672
1-ethoxy-2-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-methoxynonan-2-yl)benzene
CID 156763296
1-butyl-2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzene
CID 156764039
1-(2-methylpropoxy)-2-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methoxyheptan-2-yl)benzene
CID 156763588
2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol
CID 156763137
3-[2-(2-fluoropropan-2-yl)phenoxy]propan-1-amine
CID 115027439
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
1-butoxy-2-(3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 162347252
1-butan-2-yloxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene
CID 156765220
ethyl 2-[4,5,5,5-tetrafluoro-2-methoxy-4-(trifluoromethyl)pentan-2-yl]benzoate
CID 156763938

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene?
The IUPAC name of 1-butoxy-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene (CID 156765584) is 1-butoxy-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene.
What is the SMILES notation for 1-butoxy-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene?
The canonical SMILES for 1-butoxy-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene is CCCCOc1ccccc1C(C)(CC(F)(F)F)OC.
What is the InChIKey of 1-butoxy-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene?
The InChIKey is VAFOENJFZQRESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3O2/c1-4-5-10-20-13-9-7-6-8-12(13)14(2,19-3)11-15(16,17)18/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 1-butoxy-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene?
1-butoxy-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene has a molecular weight of 290.33 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2-(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene is sourced from PubChem (CID 156765584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).