1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene

C12H17FO2 — CID 146377288

IUPAC1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene
SMILESCOCOc1ccc(C(C)(C)C)c(F)c1
InChIInChI=1S/C12H17FO2/c1-12(2,3)10-6-5-9(7-11(10)13)15-8-14-4/h5-7H,8H2,1-4H3
InChIKeyZQSIXGVBGFGGFQ-UHFFFAOYSA-N
MW212.26 g/mol
LogP3.11
Rot. Bonds3

About 1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene

1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene (PubChem CID 146377288) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene.

Molecular Properties

Compound Name1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene
PubChem CID146377288
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene
SMILESCOCOc1ccc(C(C)(C)C)c(F)c1
InChIInChI=1S/C12H17FO2/c1-12(2,3)10-6-5-9(7-11(10)13)15-8-14-4/h5-7H,8H2,1-4H3
InChIKeyZQSIXGVBGFGGFQ-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(methoxymethoxy)-1-methylbenzene
CID 54289403
2-tert-butyl-5-(methoxymethoxy)benzonitrile
CID 146376695
1-tert-butyl-4-[4-(4,4-dimethylpentoxy)butoxy]-2-fluorobenzene
CID 164710655
2-bromo-1-fluoro-4-(methoxymethoxy)benzene
CID 83236358
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
CID 172613823
CID 172613823
1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone
CID 22363866
1,4-bis(methoxymethoxy)benzene
CID 542643
2-fluoro-4-(methoxymethoxy)-1-pentylbenzene
CID 58719021
3-[2-fluoro-4-(methoxymethoxy)phenyl]prop-2-yne-1-thiol
CID 169487059
2-fluoro-4-methoxy-1-(2-methylbutan-2-yl)benzene
CID 134360467
[2,6-difluoro-4-(methoxymethoxy)phenyl]-trimethylsilane
CID 84820749

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene?
The IUPAC name of 1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene (CID 146377288) is 1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene.
What is the SMILES notation for 1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene?
The canonical SMILES for 1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene is COCOc1ccc(C(C)(C)C)c(F)c1.
What is the InChIKey of 1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene?
The InChIKey is ZQSIXGVBGFGGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-12(2,3)10-6-5-9(7-11(10)13)15-8-14-4/h5-7H,8H2,1-4H3.
What are the key properties of 1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene?
1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene has a molecular weight of 212.26 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-fluoro-4-(methoxymethoxy)benzene is sourced from PubChem (CID 146377288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).