1-(2,2-dimethylbutyl)-2,3-difluorobenzene

C12H16F2 — CID 135277265

IUPAC1-(2,2-dimethylbutyl)-2,3-difluorobenzene
SMILESCCC(C)(C)Cc1cccc(F)c1F
InChIInChI=1S/C12H16F2/c1-4-12(2,3)8-9-6-5-7-10(13)11(9)14/h5-7H,4,8H2,1-3H3
InChIKeyUSTZGYCWLZQSIL-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.94
Rot. Bonds3

About 1-(2,2-dimethylbutyl)-2,3-difluorobenzene

1-(2,2-dimethylbutyl)-2,3-difluorobenzene (PubChem CID 135277265) has the molecular formula C12H16F2 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-2,3-difluorobenzene
PubChem CID135277265
Molecular FormulaC12H16F2
Molecular Weight198.26 g/mol
Exact Mass198.12
IUPAC Name1-(2,2-dimethylbutyl)-2,3-difluorobenzene
SMILESCCC(C)(C)Cc1cccc(F)c1F
InChIInChI=1S/C12H16F2/c1-4-12(2,3)8-9-6-5-7-10(13)11(9)14/h5-7H,4,8H2,1-3H3
InChIKeyUSTZGYCWLZQSIL-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62723528
4-(2,3-difluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 81021988
1-(4-chloro-2,2-dimethylpentyl)-2,3-difluorobenzene
CID 64715152
2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol
CID 66058296
N-[(2,3-difluorophenyl)methyl]-3-methylpentan-3-amine
CID 115630727
1-(2,3-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 115996284
1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol
CID 65146702
1-(2,3-difluorophenyl)-2-methylheptan-2-ol
CID 80557812
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
2-(2,2-dimethylbutyl)-6-(2-methylpentan-2-yl)phenol
CID 88886549
(2,3-difluorophenyl)methanamine
CID 2736941
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)-2,3-difluorobenzene?
The IUPAC name of 1-(2,2-dimethylbutyl)-2,3-difluorobenzene (CID 135277265) is 1-(2,2-dimethylbutyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-2,3-difluorobenzene?
The canonical SMILES for 1-(2,2-dimethylbutyl)-2,3-difluorobenzene is CCC(C)(C)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,2-dimethylbutyl)-2,3-difluorobenzene?
The InChIKey is USTZGYCWLZQSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2/c1-4-12(2,3)8-9-6-5-7-10(13)11(9)14/h5-7H,4,8H2,1-3H3.
What are the key properties of 1-(2,2-dimethylbutyl)-2,3-difluorobenzene?
1-(2,2-dimethylbutyl)-2,3-difluorobenzene has a molecular weight of 198.26 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)-2,3-difluorobenzene is sourced from PubChem (CID 135277265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).