4-tert-butyl-2-fluoro-1-(1-fluoroethoxy)benzene

C12H16F2O — CID 158756847

IUPAC4-tert-butyl-2-fluoro-1-(1-fluoroethoxy)benzene
SMILESCC(F)Oc1ccc(C(C)(C)C)cc1F
InChIInChI=1S/C12H16F2O/c1-8(13)15-11-6-5-9(7-10(11)14)12(2,3)4/h5-8H,1-4H3
InChIKeyCLLIUVGTAVPLAO-UHFFFAOYSA-N
MW214.25 g/mol
LogP3.82
Rot. Bonds2

About 4-tert-butyl-2-fluoro-1-(1-fluoroethoxy)benzene

4-tert-butyl-2-fluoro-1-(1-fluoroethoxy)benzene (PubChem CID 158756847) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 4-tert-butyl-2-fluoro-1-(1-fluoroethoxy)benzene.

Molecular Properties

Compound Name4-tert-butyl-2-fluoro-1-(1-fluoroethoxy)benzene
PubChem CID158756847
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name4-tert-butyl-2-fluoro-1-(1-fluoroethoxy)benzene
SMILESCC(F)Oc1ccc(C(C)(C)C)cc1F
InChIInChI=1S/C12H16F2O/c1-8(13)15-11-6-5-9(7-10(11)14)12(2,3)4/h5-8H,1-4H3
InChIKeyCLLIUVGTAVPLAO-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-fluoro-1-(1-fluoroethoxy)benzene?
The IUPAC name of 4-tert-butyl-2-fluoro-1-(1-fluoroethoxy)benzene (CID 158756847) is 4-tert-butyl-2-fluoro-1-(1-fluoroethoxy)benzene.
What is the SMILES notation for 4-tert-butyl-2-fluoro-1-(1-fluoroethoxy)benzene?
The canonical SMILES for 4-tert-butyl-2-fluoro-1-(1-fluoroethoxy)benzene is CC(F)Oc1ccc(C(C)(C)C)cc1F.
What is the InChIKey of 4-tert-butyl-2-fluoro-1-(1-fluoroethoxy)benzene?
The InChIKey is CLLIUVGTAVPLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-8(13)15-11-6-5-9(7-10(11)14)12(2,3)4/h5-8H,1-4H3.
What are the key properties of 4-tert-butyl-2-fluoro-1-(1-fluoroethoxy)benzene?
4-tert-butyl-2-fluoro-1-(1-fluoroethoxy)benzene has a molecular weight of 214.25 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-fluoro-1-(1-fluoroethoxy)benzene is sourced from PubChem (CID 158756847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).