1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene

C12H16F2O — CID 59139832

IUPAC1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene
SMILESCOc1c(F)ccc(CC(C)(C)C)c1F
InChIInChI=1S/C12H16F2O/c1-12(2,3)7-8-5-6-9(13)11(15-4)10(8)14/h5-6H,7H2,1-4H3
InChIKeyVXIKNLPSLGDCOI-UHFFFAOYSA-N
MW214.25 g/mol
LogP3.56
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene

1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene (PubChem CID 59139832) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene
PubChem CID59139832
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene
SMILESCOc1c(F)ccc(CC(C)(C)C)c1F
InChIInChI=1S/C12H16F2O/c1-12(2,3)7-8-5-6-9(13)11(15-4)10(8)14/h5-6H,7H2,1-4H3
InChIKeyVXIKNLPSLGDCOI-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327193
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
6-(2,2-dimethylpropyl)-2,3-difluorophenol
CID 58149383
6-(2-amino-2-methylpropyl)-3-fluoro-2-methoxyphenol
CID 117304251
3-fluoro-6-(hydroxymethyl)-2-methoxyphenol
CID 84654293
2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355168
1-ethyl-2,4,5-trifluoro-3-methoxybenzene
CID 130384475
3-fluoro-2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 130328241
2-ethoxy-1,4-difluoro-3-methoxybenzene
CID 146035302
2-ethyl-1-fluoro-3-methoxy-4-methylbenzene
CID 167211953
butane;1,2-difluoro-3-methoxy-4-methylbenzene
CID 166159976
1-[4-fluoro-2-methoxy-3-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117355422

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene?
The IUPAC name of 1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene (CID 59139832) is 1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene is COc1c(F)ccc(CC(C)(C)C)c1F.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene?
The InChIKey is VXIKNLPSLGDCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-12(2,3)7-8-5-6-9(13)11(15-4)10(8)14/h5-6H,7H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene?
1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene has a molecular weight of 214.25 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene is sourced from PubChem (CID 59139832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).