2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene

C11H12F4O2 — CID 118333609

IUPAC2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene
SMILESCC(C)(C)Oc1cccc(OC(F)(F)F)c1F
InChIInChI=1S/C11H12F4O2/c1-10(2,3)16-7-5-4-6-8(9(7)12)17-11(13,14)15/h4-6H,1-3H3
InChIKeyUXVXKLFFVLQHNT-UHFFFAOYSA-N
MW252.21 g/mol
LogP3.90
Rot. Bonds2

About 2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene

2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene (PubChem CID 118333609) has the molecular formula C11H12F4O2 and a molecular weight of 252.21 g/mol. Its IUPAC name is 2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene
PubChem CID118333609
Molecular FormulaC11H12F4O2
Molecular Weight252.21 g/mol
Exact Mass252.08
IUPAC Name2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene
SMILESCC(C)(C)Oc1cccc(OC(F)(F)F)c1F
InChIInChI=1S/C11H12F4O2/c1-10(2,3)16-7-5-4-6-8(9(7)12)17-11(13,14)15/h4-6H,1-3H3
InChIKeyUXVXKLFFVLQHNT-UHFFFAOYSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene
CID 118334273
2-fluoro-3-(trifluoromethoxy)aniline
CID 25210503
2-fluoro-3-(trifluoromethoxy)benzoyl fluoride
CID 88701433
2-chloro-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 68785646
2-bromo-1-[2-fluoro-3-(trifluoromethoxy)phenyl]propan-1-one
CID 134619087
(S)-N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 167713078
2-bromo-3-(trifluoromethoxy)benzenesulfonyl chloride
CID 170997703
2-(3-chloro-2-fluorophenoxy)-2-methylpropan-1-amine
CID 116688788
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
1,8-bis(trifluoromethoxy)naphthalene
CID 118813409
[2-fluoro-6-(trifluoromethoxy)phenyl]-trimethylsilane
CID 130887483
2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene
CID 131169258

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene?
The IUPAC name of 2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene (CID 118333609) is 2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene?
The canonical SMILES for 2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene is CC(C)(C)Oc1cccc(OC(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene?
The InChIKey is UXVXKLFFVLQHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O2/c1-10(2,3)16-7-5-4-6-8(9(7)12)17-11(13,14)15/h4-6H,1-3H3.
What are the key properties of 2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene?
2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene has a molecular weight of 252.21 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 118333609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).