4-tert-butyl-2-(1,1-difluoroethyl)-1-fluorobenzene

C12H15F3 — CID 147910906

IUPAC4-tert-butyl-2-(1,1-difluoroethyl)-1-fluorobenzene
SMILESCC(C)(C)c1ccc(F)c(C(C)(F)F)c1
InChIInChI=1S/C12H15F3/c1-11(2,3)8-5-6-10(13)9(7-8)12(4,14)15/h5-7H,1-4H3
InChIKeyIGCLEOSPCJRYQL-UHFFFAOYSA-N
MW216.25 g/mol
LogP4.23
Rot. Bonds1

About 4-tert-butyl-2-(1,1-difluoroethyl)-1-fluorobenzene

4-tert-butyl-2-(1,1-difluoroethyl)-1-fluorobenzene (PubChem CID 147910906) has the molecular formula C12H15F3 and a molecular weight of 216.25 g/mol. Its IUPAC name is 4-tert-butyl-2-(1,1-difluoroethyl)-1-fluorobenzene.

Molecular Properties

Compound Name4-tert-butyl-2-(1,1-difluoroethyl)-1-fluorobenzene
PubChem CID147910906
Molecular FormulaC12H15F3
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name4-tert-butyl-2-(1,1-difluoroethyl)-1-fluorobenzene
SMILESCC(C)(C)c1ccc(F)c(C(C)(F)F)c1
InChIInChI=1S/C12H15F3/c1-11(2,3)8-5-6-10(13)9(7-8)12(4,14)15/h5-7H,1-4H3
InChIKeyIGCLEOSPCJRYQL-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-tert-butyl-4-chloro-1-fluorobenzene
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4-tert-butyl-1-fluoro-2-(2-fluorophenyl)benzene
CID 58049398
4-tert-butyl-2-fluorophenol
CID 11062790
4-tert-butyl-2-fluoroaniline
CID 10464690
4-(4-chloro-2-methylpentan-2-yl)-1-fluoro-2-(trifluoromethyl)benzene
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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(1,1-difluoroethyl)-1-fluorobenzene?
The IUPAC name of 4-tert-butyl-2-(1,1-difluoroethyl)-1-fluorobenzene (CID 147910906) is 4-tert-butyl-2-(1,1-difluoroethyl)-1-fluorobenzene.
What is the SMILES notation for 4-tert-butyl-2-(1,1-difluoroethyl)-1-fluorobenzene?
The canonical SMILES for 4-tert-butyl-2-(1,1-difluoroethyl)-1-fluorobenzene is CC(C)(C)c1ccc(F)c(C(C)(F)F)c1.
What is the InChIKey of 4-tert-butyl-2-(1,1-difluoroethyl)-1-fluorobenzene?
The InChIKey is IGCLEOSPCJRYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3/c1-11(2,3)8-5-6-10(13)9(7-8)12(4,14)15/h5-7H,1-4H3.
What are the key properties of 4-tert-butyl-2-(1,1-difluoroethyl)-1-fluorobenzene?
4-tert-butyl-2-(1,1-difluoroethyl)-1-fluorobenzene has a molecular weight of 216.25 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(1,1-difluoroethyl)-1-fluorobenzene is sourced from PubChem (CID 147910906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).