1-(dimethoxymethyl)-2-fluoro-4-(methoxymethyl)benzene

C11H15FO3 — CID 118095666

IUPAC1-(dimethoxymethyl)-2-fluoro-4-(methoxymethyl)benzene
SMILESCOCc1ccc(C(OC)OC)c(F)c1
InChIInChI=1S/C11H15FO3/c1-13-7-8-4-5-9(10(12)6-8)11(14-2)15-3/h4-6,11H,7H2,1-3H3
InChIKeyBMDRNZHKMPYZQF-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.26
Rot. Bonds5

About 1-(dimethoxymethyl)-2-fluoro-4-(methoxymethyl)benzene

1-(dimethoxymethyl)-2-fluoro-4-(methoxymethyl)benzene (PubChem CID 118095666) has the molecular formula C11H15FO3 and a molecular weight of 214.24 g/mol. Its IUPAC name is 1-(dimethoxymethyl)-2-fluoro-4-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-(dimethoxymethyl)-2-fluoro-4-(methoxymethyl)benzene
PubChem CID118095666
Molecular FormulaC11H15FO3
Molecular Weight214.24 g/mol
Exact Mass214.10
IUPAC Name1-(dimethoxymethyl)-2-fluoro-4-(methoxymethyl)benzene
SMILESCOCc1ccc(C(OC)OC)c(F)c1
InChIInChI=1S/C11H15FO3/c1-13-7-8-4-5-9(10(12)6-8)11(14-2)15-3/h4-6,11H,7H2,1-3H3
InChIKeyBMDRNZHKMPYZQF-UHFFFAOYSA-N
XLogP2.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.26
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

2-fluoro-4-(methoxymethyl)benzonitrile
CID 117276304
[3-fluoro-4-[hydroxy(methoxy)methyl]phenyl]methyl acetate
CID 146606751
1-(dimethoxymethyl)-2-fluoro-4-(2-methoxypropan-2-yl)benzene
CID 118095662
2-fluoro-1-hexadecoxy-4-(methoxymethyl)benzene
CID 59683719
[2,6-difluoro-4-(methoxymethyl)phenyl]methanol
CID 130130923
benzyl N-[4-(dimethoxymethyl)-3-fluorophenyl]carbamate
CID 22245060
4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid
CID 117325374
1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117287870
2-[2-methoxy-4-(methoxymethyl)phenyl]propan-1-amine
CID 83884511
2-[(1R)-1-aminoethyl]-4-(methoxymethyl)phenol
CID 55262532
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922
(1R)-1-[2-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720216

Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethyl)-2-fluoro-4-(methoxymethyl)benzene?
The IUPAC name of 1-(dimethoxymethyl)-2-fluoro-4-(methoxymethyl)benzene (CID 118095666) is 1-(dimethoxymethyl)-2-fluoro-4-(methoxymethyl)benzene.
What is the SMILES notation for 1-(dimethoxymethyl)-2-fluoro-4-(methoxymethyl)benzene?
The canonical SMILES for 1-(dimethoxymethyl)-2-fluoro-4-(methoxymethyl)benzene is COCc1ccc(C(OC)OC)c(F)c1.
What is the InChIKey of 1-(dimethoxymethyl)-2-fluoro-4-(methoxymethyl)benzene?
The InChIKey is BMDRNZHKMPYZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3/c1-13-7-8-4-5-9(10(12)6-8)11(14-2)15-3/h4-6,11H,7H2,1-3H3.
What are the key properties of 1-(dimethoxymethyl)-2-fluoro-4-(methoxymethyl)benzene?
1-(dimethoxymethyl)-2-fluoro-4-(methoxymethyl)benzene has a molecular weight of 214.24 g/mol, XLogP of 2.26, 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-(methoxymethyl)benzene is sourced from PubChem (CID 118095666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).