1-(dimethoxymethyl)-2-fluoro-4-(2-methoxypropan-2-yl)benzene

C13H19FO3 — CID 118095662

IUPAC1-(dimethoxymethyl)-2-fluoro-4-(2-methoxypropan-2-yl)benzene
SMILESCOC(OC)c1ccc(C(C)(C)OC)cc1F
InChIInChI=1S/C13H19FO3/c1-13(2,17-5)9-6-7-10(11(14)8-9)12(15-3)16-4/h6-8,12H,1-5H3
InChIKeyGTNFKEQYJJMVIZ-UHFFFAOYSA-N
MW242.29 g/mol
LogP3.00
Rot. Bonds5

About 1-(dimethoxymethyl)-2-fluoro-4-(2-methoxypropan-2-yl)benzene

1-(dimethoxymethyl)-2-fluoro-4-(2-methoxypropan-2-yl)benzene (PubChem CID 118095662) has the molecular formula C13H19FO3 and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-(dimethoxymethyl)-2-fluoro-4-(2-methoxypropan-2-yl)benzene.

Molecular Properties

Compound Name1-(dimethoxymethyl)-2-fluoro-4-(2-methoxypropan-2-yl)benzene
PubChem CID118095662
Molecular FormulaC13H19FO3
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name1-(dimethoxymethyl)-2-fluoro-4-(2-methoxypropan-2-yl)benzene
SMILESCOC(OC)c1ccc(C(C)(C)OC)cc1F
InChIInChI=1S/C13H19FO3/c1-13(2,17-5)9-6-7-10(11(14)8-9)12(15-3)16-4/h6-8,12H,1-5H3
InChIKeyGTNFKEQYJJMVIZ-UHFFFAOYSA-N
XLogP3.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(dimethoxymethyl)-2-fluoro-4-(trifluoromethyl)benzene;2-fluoro-4-(trifluoromethyl)benzaldehyde
CID 158629586
1-(dimethoxymethyl)-2-fluoro-4-(methoxymethyl)benzene
CID 118095666
2-bromo-1-(dimethoxymethyl)-4-(trifluoromethyl)benzene
CID 169138139
2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol
CID 84672129
2-[4-(2-methoxypropan-2-yl)phenyl]propan-2-ol
CID 117297913
1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine
CID 131609611
1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene
CID 20723728
1-(dimethoxymethyl)-4-fluoro-2-methylbenzene
CID 135381934
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 171248868
methyl 3-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropanoate
CID 171864579
2-(3,4-difluorophenyl)-3-methylbutan-2-ol
CID 62802016
1-tert-butyl-3,5-bis(2-methoxypropan-2-yl)benzene
CID 141239687

Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethyl)-2-fluoro-4-(2-methoxypropan-2-yl)benzene?
The IUPAC name of 1-(dimethoxymethyl)-2-fluoro-4-(2-methoxypropan-2-yl)benzene (CID 118095662) is 1-(dimethoxymethyl)-2-fluoro-4-(2-methoxypropan-2-yl)benzene.
What is the SMILES notation for 1-(dimethoxymethyl)-2-fluoro-4-(2-methoxypropan-2-yl)benzene?
The canonical SMILES for 1-(dimethoxymethyl)-2-fluoro-4-(2-methoxypropan-2-yl)benzene is COC(OC)c1ccc(C(C)(C)OC)cc1F.
What is the InChIKey of 1-(dimethoxymethyl)-2-fluoro-4-(2-methoxypropan-2-yl)benzene?
The InChIKey is GTNFKEQYJJMVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO3/c1-13(2,17-5)9-6-7-10(11(14)8-9)12(15-3)16-4/h6-8,12H,1-5H3.
What are the key properties of 1-(dimethoxymethyl)-2-fluoro-4-(2-methoxypropan-2-yl)benzene?
1-(dimethoxymethyl)-2-fluoro-4-(2-methoxypropan-2-yl)benzene has a molecular weight of 242.29 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethyl)-2-fluoro-4-(2-methoxypropan-2-yl)benzene is sourced from PubChem (CID 118095662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).