4-tert-butyl-1-(1,1-difluoropropyl)-2-methylbenzene

C14H20F2 — CID 116841304

IUPAC4-tert-butyl-1-(1,1-difluoropropyl)-2-methylbenzene
SMILESCCC(F)(F)c1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C14H20F2/c1-6-14(15,16)12-8-7-11(9-10(12)2)13(3,4)5/h7-9H,6H2,1-5H3
InChIKeyDUIVMDMAGBJCCY-UHFFFAOYSA-N
MW226.31 g/mol
LogP4.79
Rot. Bonds2

About 4-tert-butyl-1-(1,1-difluoropropyl)-2-methylbenzene

4-tert-butyl-1-(1,1-difluoropropyl)-2-methylbenzene (PubChem CID 116841304) has the molecular formula C14H20F2 and a molecular weight of 226.31 g/mol. Its IUPAC name is 4-tert-butyl-1-(1,1-difluoropropyl)-2-methylbenzene.

Molecular Properties

Compound Name4-tert-butyl-1-(1,1-difluoropropyl)-2-methylbenzene
PubChem CID116841304
Molecular FormulaC14H20F2
Molecular Weight226.31 g/mol
Exact Mass226.15
IUPAC Name4-tert-butyl-1-(1,1-difluoropropyl)-2-methylbenzene
SMILESCCC(F)(F)c1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C14H20F2/c1-6-14(15,16)12-8-7-11(9-10(12)2)13(3,4)5/h7-9H,6H2,1-5H3
InChIKeyDUIVMDMAGBJCCY-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1,1-difluoropropyl)-2,4-dimethylbenzene
CID 116841228
4-(4-tert-butyl-2-methylphenyl)-4,4-difluorobutanenitrile
CID 116840925
3-(4-tert-butyl-2-methylphenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839672
2-(4-tert-butyl-2-methylphenyl)-2-methylpropan-1-amine
CID 82472490
2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine
CID 116992517
5-(1,1-difluoropropyl)-6-methyl-1,3-benzodioxole
CID 116841335
2-(5-tert-butyl-2-methylphenyl)-2,2-difluoroacetonitrile
CID 116840573
4-(3,4-dimethylphenyl)-4,4-difluoro-2-methylbutan-2-amine
CID 116839496
1-tert-butyl-2-fluoro-4-(3-methylpentan-3-yl)benzene
CID 126704074
1-tert-butyl-2-methyl-4-[2-[3-methyl-4-(2-methylbutan-2-yloxy)phenyl]propan-2-yl]benzene
CID 70852548
1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-methylbenzene
CID 165165056
1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
CID 20667880

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(1,1-difluoropropyl)-2-methylbenzene?
The IUPAC name of 4-tert-butyl-1-(1,1-difluoropropyl)-2-methylbenzene (CID 116841304) is 4-tert-butyl-1-(1,1-difluoropropyl)-2-methylbenzene.
What is the SMILES notation for 4-tert-butyl-1-(1,1-difluoropropyl)-2-methylbenzene?
The canonical SMILES for 4-tert-butyl-1-(1,1-difluoropropyl)-2-methylbenzene is CCC(F)(F)c1ccc(C(C)(C)C)cc1C.
What is the InChIKey of 4-tert-butyl-1-(1,1-difluoropropyl)-2-methylbenzene?
The InChIKey is DUIVMDMAGBJCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2/c1-6-14(15,16)12-8-7-11(9-10(12)2)13(3,4)5/h7-9H,6H2,1-5H3.
What are the key properties of 4-tert-butyl-1-(1,1-difluoropropyl)-2-methylbenzene?
4-tert-butyl-1-(1,1-difluoropropyl)-2-methylbenzene has a molecular weight of 226.31 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(1,1-difluoropropyl)-2-methylbenzene is sourced from PubChem (CID 116841304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).