1-(2,3-dimethylbutan-2-yl)-2,4-difluorobenzene

C12H16F2 — CID 176962809

IUPAC1-(2,3-dimethylbutan-2-yl)-2,4-difluorobenzene
SMILESCC(C)C(C)(C)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2/c1-8(2)12(3,4)10-6-5-9(13)7-11(10)14/h5-8H,1-4H3
InChIKeyKENZIEMOQNWGFU-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.90
Rot. Bonds2

About 1-(2,3-dimethylbutan-2-yl)-2,4-difluorobenzene

1-(2,3-dimethylbutan-2-yl)-2,4-difluorobenzene (PubChem CID 176962809) has the molecular formula C12H16F2 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(2,3-dimethylbutan-2-yl)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(2,3-dimethylbutan-2-yl)-2,4-difluorobenzene
PubChem CID176962809
Molecular FormulaC12H16F2
Molecular Weight198.26 g/mol
Exact Mass198.12
IUPAC Name1-(2,3-dimethylbutan-2-yl)-2,4-difluorobenzene
SMILESCC(C)C(C)(C)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2/c1-8(2)12(3,4)10-6-5-9(13)7-11(10)14/h5-8H,1-4H3
InChIKeyKENZIEMOQNWGFU-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839410
2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
2-(2,4-difluorophenyl)propane-1,2-diol
CID 22107607
1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol
CID 62802529
ethyl 2-(2,4-difluorophenyl)-2,3-dimethylbutanoate
CID 117047913
2-(2,4-difluorophenyl)-2-methylpropane-1-sulfonyl chloride
CID 116866432
3-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 79838092
2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine
CID 105425208
(2S)-2-(2-bromo-4-fluorophenyl)-3-methylbutan-2-amine
CID 130941665
2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409
1-cyclopropyl-1-(2,4-difluorophenyl)ethanol
CID 24749679
1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride
CID 54593269

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutan-2-yl)-2,4-difluorobenzene?
The IUPAC name of 1-(2,3-dimethylbutan-2-yl)-2,4-difluorobenzene (CID 176962809) is 1-(2,3-dimethylbutan-2-yl)-2,4-difluorobenzene.
What is the SMILES notation for 1-(2,3-dimethylbutan-2-yl)-2,4-difluorobenzene?
The canonical SMILES for 1-(2,3-dimethylbutan-2-yl)-2,4-difluorobenzene is CC(C)C(C)(C)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,3-dimethylbutan-2-yl)-2,4-difluorobenzene?
The InChIKey is KENZIEMOQNWGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2/c1-8(2)12(3,4)10-6-5-9(13)7-11(10)14/h5-8H,1-4H3.
What are the key properties of 1-(2,3-dimethylbutan-2-yl)-2,4-difluorobenzene?
1-(2,3-dimethylbutan-2-yl)-2,4-difluorobenzene has a molecular weight of 198.26 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutan-2-yl)-2,4-difluorobenzene is sourced from PubChem (CID 176962809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).