4-[methoxy(nitroso)methyl]-1-propan-2-yloxy-2-(trifluoromethyl)benzene

C12H14F3NO3 — CID 166687454

IUPAC4-[methoxy(nitroso)methyl]-1-propan-2-yloxy-2-(trifluoromethyl)benzene
SMILESCOC(N=O)c1ccc(OC(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3/c1-7(2)19-10-5-4-8(11(16-17)18-3)6-9(10)12(13,14)15/h4-7,11H,1-3H3
InChIKeyFHJMHYYROOALEJ-UHFFFAOYSA-N
MW277.24 g/mol
LogP3.90
Rot. Bonds5

About 4-[methoxy(nitroso)methyl]-1-propan-2-yloxy-2-(trifluoromethyl)benzene

4-[methoxy(nitroso)methyl]-1-propan-2-yloxy-2-(trifluoromethyl)benzene (PubChem CID 166687454) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 4-[methoxy(nitroso)methyl]-1-propan-2-yloxy-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-[methoxy(nitroso)methyl]-1-propan-2-yloxy-2-(trifluoromethyl)benzene
PubChem CID166687454
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name4-[methoxy(nitroso)methyl]-1-propan-2-yloxy-2-(trifluoromethyl)benzene
SMILESCOC(N=O)c1ccc(OC(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3/c1-7(2)19-10-5-4-8(11(16-17)18-3)6-9(10)12(13,14)15/h4-7,11H,1-3H3
InChIKeyFHJMHYYROOALEJ-UHFFFAOYSA-N
XLogP3.90
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]ethanone
CID 118619612
4-(methoxymethyl)-1-propan-2-yloxy-2-(trifluoromethyl)benzene
CID 168922264
1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methanimine
CID 123354447
(1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 131503753
(E)-3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 63320807
2-[4-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 177379479
2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]furan
CID 168525152
4,4,5,5-tetramethyl-2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
CID 58494057
3-[4-propan-2-yloxy-3-(trifluoromethyl)anilino]propane-1,2-diol
CID 168593176
cis-(1S,2R)-2-[[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 155955537
1-(3-methoxy-4-propan-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-one
CID 69041667

Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(nitroso)methyl]-1-propan-2-yloxy-2-(trifluoromethyl)benzene?
The IUPAC name of 4-[methoxy(nitroso)methyl]-1-propan-2-yloxy-2-(trifluoromethyl)benzene (CID 166687454) is 4-[methoxy(nitroso)methyl]-1-propan-2-yloxy-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-[methoxy(nitroso)methyl]-1-propan-2-yloxy-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-[methoxy(nitroso)methyl]-1-propan-2-yloxy-2-(trifluoromethyl)benzene is COC(N=O)c1ccc(OC(C)C)c(C(F)(F)F)c1.
What is the InChIKey of 4-[methoxy(nitroso)methyl]-1-propan-2-yloxy-2-(trifluoromethyl)benzene?
The InChIKey is FHJMHYYROOALEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-7(2)19-10-5-4-8(11(16-17)18-3)6-9(10)12(13,14)15/h4-7,11H,1-3H3.
What are the key properties of 4-[methoxy(nitroso)methyl]-1-propan-2-yloxy-2-(trifluoromethyl)benzene?
4-[methoxy(nitroso)methyl]-1-propan-2-yloxy-2-(trifluoromethyl)benzene has a molecular weight of 277.24 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(nitroso)methyl]-1-propan-2-yloxy-2-(trifluoromethyl)benzene is sourced from PubChem (CID 166687454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).