2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene

C12H17F — CID 134560935

IUPAC2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1cccc(C)c1F
InChIInChI=1S/C12H17F/c1-5-12(3,4)10-8-6-7-9(2)11(10)13/h6-8H,5H2,1-4H3
InChIKeyDNWDXIFAVOMGDG-UHFFFAOYSA-N
MW180.27 g/mol
LogP3.82
Rot. Bonds2

About 2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene

2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene (PubChem CID 134560935) has the molecular formula C12H17F and a molecular weight of 180.27 g/mol. Its IUPAC name is 2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene
PubChem CID134560935
Molecular FormulaC12H17F
Molecular Weight180.27 g/mol
Exact Mass180.13
IUPAC Name2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1cccc(C)c1F
InChIInChI=1S/C12H17F/c1-5-12(3,4)10-8-6-7-9(2)11(10)13/h6-8H,5H2,1-4H3
InChIKeyDNWDXIFAVOMGDG-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-fluoro-3-methylphenyl)-2-methylpropan-1-amine
CID 83696433
3-(2-fluoro-3-methylphenyl)-3-methylbutanoic acid
CID 117300324
1-(1,1-difluoroethyl)-2-fluoro-3-methylbenzene;ethane
CID 165398651
1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene
CID 54002630
2,3-difluoro-1-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)benzene
CID 126703972
chloromethane;2-fluoro-1,3-dimethylbenzene
CID 144572529
2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 82805898
2-fluoro-3-(2-methylbutan-2-yl)pyridine
CID 146620582
1,3-difluoro-4-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene
CID 155021913
4-(2-methylbutan-2-yl)-2,3-dihydro-1H-indene
CID 174033405
2-bromo-N-[2-methyl-6-(2-methylbutan-2-yl)phenyl]acetamide
CID 18630294
(2-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 81481916

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene?
The IUPAC name of 2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene (CID 134560935) is 2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene?
The canonical SMILES for 2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene is CCC(C)(C)c1cccc(C)c1F.
What is the InChIKey of 2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene?
The InChIKey is DNWDXIFAVOMGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F/c1-5-12(3,4)10-8-6-7-9(2)11(10)13/h6-8H,5H2,1-4H3.
What are the key properties of 2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene?
2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene has a molecular weight of 180.27 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 134560935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).