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

C11H13F3O — CID 156763187

IUPAC(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
SMILESCOC(C)(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H13F3O/c1-10(15-2,8-11(12,13)14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyZPZPAPVKBOSYBD-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.50
Rot. Bonds3

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

(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene (PubChem CID 156763187) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is (4,4,4-trifluoro-2-methoxybutan-2-yl)benzene.

Molecular Properties

Compound Name(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
PubChem CID156763187
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene
SMILESCOC(C)(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H13F3O/c1-10(15-2,8-11(12,13)14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyZPZPAPVKBOSYBD-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Styrene Oxide
CID 7276
Cumene Hydroperoxide
CID 6629
(S)-styrene oxide
CID 114946
Benzyl ethyl ether
CID 10873
Benzyl butyl ether
CID 61134
Benzyl methyl ether
CID 10869
(+)-Styrene oxide
CID 114705
Benzyl octyl ether
CID 347508
Allyl benzyl ether
CID 84542
2-Methyl-2-phenyloxirane
CID 16398
Benzene, (1-ethoxyethyl)-
CID 18693
Methyl trityl ether
CID 136388

Frequently Asked Questions

What is the IUPAC name of (4,4,4-trifluoro-2-methoxybutan-2-yl)benzene?
The IUPAC name of (4,4,4-trifluoro-2-methoxybutan-2-yl)benzene (CID 156763187) is (4,4,4-trifluoro-2-methoxybutan-2-yl)benzene.
What is the SMILES notation for (4,4,4-trifluoro-2-methoxybutan-2-yl)benzene?
The canonical SMILES for (4,4,4-trifluoro-2-methoxybutan-2-yl)benzene is COC(C)(CC(F)(F)F)c1ccccc1.
What is the InChIKey of (4,4,4-trifluoro-2-methoxybutan-2-yl)benzene?
The InChIKey is ZPZPAPVKBOSYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-10(15-2,8-11(12,13)14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of (4,4,4-trifluoro-2-methoxybutan-2-yl)benzene?
(4,4,4-trifluoro-2-methoxybutan-2-yl)benzene has a molecular weight of 218.22 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4,4-trifluoro-2-methoxybutan-2-yl)benzene is sourced from PubChem (CID 156763187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).