4-(2-fluoro-2,3,4,4-tetramethylpentan-3-yl)-1,2-dimethylbenzene

C17H27F — CID 144617346

IUPAC4-(2-fluoro-2,3,4,4-tetramethylpentan-3-yl)-1,2-dimethylbenzene
SMILESCc1ccc(C(C)(C(C)(C)C)C(C)(C)F)cc1C
InChIInChI=1S/C17H27F/c1-12-9-10-14(11-13(12)2)17(8,15(3,4)5)16(6,7)18/h9-11H,1-8H3
InChIKeyBXQSWXWMBBECFW-UHFFFAOYSA-N
MW250.40 g/mol
LogP5.36
Rot. Bonds2

About 4-(2-fluoro-2,3,4,4-tetramethylpentan-3-yl)-1,2-dimethylbenzene

4-(2-fluoro-2,3,4,4-tetramethylpentan-3-yl)-1,2-dimethylbenzene (PubChem CID 144617346) has the molecular formula C17H27F and a molecular weight of 250.40 g/mol. Its IUPAC name is 4-(2-fluoro-2,3,4,4-tetramethylpentan-3-yl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(2-fluoro-2,3,4,4-tetramethylpentan-3-yl)-1,2-dimethylbenzene
PubChem CID144617346
Molecular FormulaC17H27F
Molecular Weight250.40 g/mol
Exact Mass250.21
IUPAC Name4-(2-fluoro-2,3,4,4-tetramethylpentan-3-yl)-1,2-dimethylbenzene
SMILESCc1ccc(C(C)(C(C)(C)C)C(C)(C)F)cc1C
InChIInChI=1S/C17H27F/c1-12-9-10-14(11-13(12)2)17(8,15(3,4)5)16(6,7)18/h9-11H,1-8H3
InChIKeyBXQSWXWMBBECFW-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.40
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[1-(3,4-dimethylphenyl)-1,2,2,3,3,3-hexafluoropropyl]-1,2-dimethylbenzene
CID 57319758
2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 14438707
4-(3,4-dimethylphenyl)-4,4-difluoro-2-methylbutan-2-amine
CID 116839496
5-[2-(3,4-dimethylphenyl)-1,1,1-trifluoropropan-2-yl]-2-methylphenol
CID 161235040
2-(3,4-dimethylphenyl)-2,2-difluoroacetic acid
CID 39058323
1,2-dimethyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzene
CID 164677102
4-(1,1,1,2,3,3-hexafluoropropan-2-yl)-1,2-dimethylbenzene
CID 87608464
1,2-dimethyl-4-[1,1,1,3,3-pentachloro-2-(3,4-dimethylphenyl)-3-fluoropropan-2-yl]benzene
CID 166522420
2-(3,4-dimethylphenyl)-2-methylpropanal
CID 59042198
4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene
CID 54517400
2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 2779376
4-[3-(3,4-dimethylphenyl)pentan-3-yl]-1,2-dimethylbenzene
CID 58775966

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-2,3,4,4-tetramethylpentan-3-yl)-1,2-dimethylbenzene?
The IUPAC name of 4-(2-fluoro-2,3,4,4-tetramethylpentan-3-yl)-1,2-dimethylbenzene (CID 144617346) is 4-(2-fluoro-2,3,4,4-tetramethylpentan-3-yl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(2-fluoro-2,3,4,4-tetramethylpentan-3-yl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(2-fluoro-2,3,4,4-tetramethylpentan-3-yl)-1,2-dimethylbenzene is Cc1ccc(C(C)(C(C)(C)C)C(C)(C)F)cc1C.
What is the InChIKey of 4-(2-fluoro-2,3,4,4-tetramethylpentan-3-yl)-1,2-dimethylbenzene?
The InChIKey is BXQSWXWMBBECFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F/c1-12-9-10-14(11-13(12)2)17(8,15(3,4)5)16(6,7)18/h9-11H,1-8H3.
What are the key properties of 4-(2-fluoro-2,3,4,4-tetramethylpentan-3-yl)-1,2-dimethylbenzene?
4-(2-fluoro-2,3,4,4-tetramethylpentan-3-yl)-1,2-dimethylbenzene has a molecular weight of 250.40 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-2,3,4,4-tetramethylpentan-3-yl)-1,2-dimethylbenzene is sourced from PubChem (CID 144617346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).