1-tert-butyl-3,5-difluoro-2-methoxybenzene

C11H14F2O — CID 59343854

IUPAC1-tert-butyl-3,5-difluoro-2-methoxybenzene
SMILESCOc1c(F)cc(F)cc1C(C)(C)C
InChIInChI=1S/C11H14F2O/c1-11(2,3)8-5-7(12)6-9(13)10(8)14-4/h5-6H,1-4H3
InChIKeyDGARIVZLBDLTME-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.27
Rot. Bonds1

About 1-tert-butyl-3,5-difluoro-2-methoxybenzene

1-tert-butyl-3,5-difluoro-2-methoxybenzene (PubChem CID 59343854) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-tert-butyl-3,5-difluoro-2-methoxybenzene.

Molecular Properties

Compound Name1-tert-butyl-3,5-difluoro-2-methoxybenzene
PubChem CID59343854
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-tert-butyl-3,5-difluoro-2-methoxybenzene
SMILESCOc1c(F)cc(F)cc1C(C)(C)C
InChIInChI=1S/C11H14F2O/c1-11(2,3)8-5-7(12)6-9(13)10(8)14-4/h5-6H,1-4H3
InChIKeyDGARIVZLBDLTME-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-difluoro-2-methoxy-N-(2-methylbutan-2-yl)aniline
CID 146257973
1-bromo-3-tert-butyl-5-(2,4-difluorophenyl)-2-methoxybenzene
CID 66833823
4-(3,5-difluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal
CID 87889855
CID 21097811
CID 21097811
1-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 84661308
1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane
CID 143616670
CID 58741303
CID 58741303
(3,5-ditert-butyl-4-methoxyphenyl)-iodophosphane
CID 174881075
2,6-ditert-butyl-4-fluoroaniline
CID 14460942
1-tert-butyl-2,3,4,5-tetramethoxybenzene
CID 101460863
5-fluoro-1-iodo-2-methoxy-3-(trifluoromethyl)benzene
CID 99769948
5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene
CID 171001774

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,5-difluoro-2-methoxybenzene?
The IUPAC name of 1-tert-butyl-3,5-difluoro-2-methoxybenzene (CID 59343854) is 1-tert-butyl-3,5-difluoro-2-methoxybenzene.
What is the SMILES notation for 1-tert-butyl-3,5-difluoro-2-methoxybenzene?
The canonical SMILES for 1-tert-butyl-3,5-difluoro-2-methoxybenzene is COc1c(F)cc(F)cc1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3,5-difluoro-2-methoxybenzene?
The InChIKey is DGARIVZLBDLTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-11(2,3)8-5-7(12)6-9(13)10(8)14-4/h5-6H,1-4H3.
What are the key properties of 1-tert-butyl-3,5-difluoro-2-methoxybenzene?
1-tert-butyl-3,5-difluoro-2-methoxybenzene has a molecular weight of 200.23 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,5-difluoro-2-methoxybenzene is sourced from PubChem (CID 59343854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).