4-(2,2-dimethylbutyl)-2-fluoro-1-methylbenzene

C13H19F — CID 89023362

IUPAC4-(2,2-dimethylbutyl)-2-fluoro-1-methylbenzene
SMILESCCC(C)(C)Cc1ccc(C)c(F)c1
InChIInChI=1S/C13H19F/c1-5-13(3,4)9-11-7-6-10(2)12(14)8-11/h6-8H,5,9H2,1-4H3
InChIKeyBNPHQSRTQUHONP-UHFFFAOYSA-N
MW194.29 g/mol
LogP4.11
Rot. Bonds3

About 4-(2,2-dimethylbutyl)-2-fluoro-1-methylbenzene

4-(2,2-dimethylbutyl)-2-fluoro-1-methylbenzene (PubChem CID 89023362) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is 4-(2,2-dimethylbutyl)-2-fluoro-1-methylbenzene.

Molecular Properties

Compound Name4-(2,2-dimethylbutyl)-2-fluoro-1-methylbenzene
PubChem CID89023362
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Name4-(2,2-dimethylbutyl)-2-fluoro-1-methylbenzene
SMILESCCC(C)(C)Cc1ccc(C)c(F)c1
InChIInChI=1S/C13H19F/c1-5-13(3,4)9-11-7-6-10(2)12(14)8-11/h6-8H,5,9H2,1-4H3
InChIKeyBNPHQSRTQUHONP-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-(2,2-dimethylbutyl)-2-fluorobenzene
CID 175615022
1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine
CID 23109614
2-chloro-4-(2,2-dimethylbutyl)-1-methylbenzene
CID 70843231
4-(2,2-dimethylbutyl)-2-(5-fluoro-2-methylphenyl)phenol
CID 70792866
1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane
CID 143051679
2,6-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63644666
2-ethyl-2-[(3-fluoro-4-methylphenyl)methylamino]propane-1,3-diol
CID 103880650
2-fluoro-4-(2-iodoethyl)-1-methylbenzene
CID 90129406
(3-fluoro-4-methylphenyl)methyl-trimethylazanium
CID 158068561
2-fluoro-1-methyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 59933450
2-chloro-1,4-bis(2,2-dimethylbutyl)benzene
CID 90334863
2-fluoro-1-methyl-4-(3-methyl-3-nitrosobutyl)benzene
CID 146499157

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylbutyl)-2-fluoro-1-methylbenzene?
The IUPAC name of 4-(2,2-dimethylbutyl)-2-fluoro-1-methylbenzene (CID 89023362) is 4-(2,2-dimethylbutyl)-2-fluoro-1-methylbenzene.
What is the SMILES notation for 4-(2,2-dimethylbutyl)-2-fluoro-1-methylbenzene?
The canonical SMILES for 4-(2,2-dimethylbutyl)-2-fluoro-1-methylbenzene is CCC(C)(C)Cc1ccc(C)c(F)c1.
What is the InChIKey of 4-(2,2-dimethylbutyl)-2-fluoro-1-methylbenzene?
The InChIKey is BNPHQSRTQUHONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F/c1-5-13(3,4)9-11-7-6-10(2)12(14)8-11/h6-8H,5,9H2,1-4H3.
What are the key properties of 4-(2,2-dimethylbutyl)-2-fluoro-1-methylbenzene?
4-(2,2-dimethylbutyl)-2-fluoro-1-methylbenzene has a molecular weight of 194.29 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylbutyl)-2-fluoro-1-methylbenzene is sourced from PubChem (CID 89023362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).