4-tert-butyl-1-(3,4-difluorophenoxy)-2-fluorobenzene

C16H15F3O — CID 167344163

IUPAC4-tert-butyl-1-(3,4-difluorophenoxy)-2-fluorobenzene
SMILESCC(C)(C)c1ccc(Oc2ccc(F)c(F)c2)c(F)c1
InChIInChI=1S/C16H15F3O/c1-16(2,3)10-4-7-15(14(19)8-10)20-11-5-6-12(17)13(18)9-11/h4-9H,1-3H3
InChIKeyYFSPYWFFKAVTAD-UHFFFAOYSA-N
MW280.29 g/mol
LogP5.19
Rot. Bonds2

About 4-tert-butyl-1-(3,4-difluorophenoxy)-2-fluorobenzene

4-tert-butyl-1-(3,4-difluorophenoxy)-2-fluorobenzene (PubChem CID 167344163) has the molecular formula C16H15F3O and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-tert-butyl-1-(3,4-difluorophenoxy)-2-fluorobenzene.

Molecular Properties

Compound Name4-tert-butyl-1-(3,4-difluorophenoxy)-2-fluorobenzene
PubChem CID167344163
Molecular FormulaC16H15F3O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name4-tert-butyl-1-(3,4-difluorophenoxy)-2-fluorobenzene
SMILESCC(C)(C)c1ccc(Oc2ccc(F)c(F)c2)c(F)c1
InChIInChI=1S/C16H15F3O/c1-16(2,3)10-4-7-15(14(19)8-10)20-11-5-6-12(17)13(18)9-11/h4-9H,1-3H3
InChIKeyYFSPYWFFKAVTAD-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.29
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-tert-butyl-1-(3,4-difluorophenoxy)-2-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-tert-butylphenoxy)-2,4-difluorobenzene
CID 70799684
4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline
CID 176688686
(1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol
CID 78944719
4-tert-butyl-2-fluoro-1-(1-fluoroethoxy)benzene
CID 158756847
4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide
CID 146306005
1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283755
2-fluoro-1-(4-fluorophenoxy)-4-methoxybenzene
CID 174755555
2-(4-tert-butylphenoxy)-5-fluoroaniline
CID 26189672
[3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]methanamine
CID 28966135
1-[4-(bromomethyl)-2-fluorophenoxy]-4-tert-butyl-2-methylbenzene
CID 107087600
[5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine
CID 62493344
4-chloro-2-(3,4-difluorophenoxy)-N-methylaniline
CID 58769980

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(3,4-difluorophenoxy)-2-fluorobenzene?
The IUPAC name of 4-tert-butyl-1-(3,4-difluorophenoxy)-2-fluorobenzene (CID 167344163) is 4-tert-butyl-1-(3,4-difluorophenoxy)-2-fluorobenzene.
What is the SMILES notation for 4-tert-butyl-1-(3,4-difluorophenoxy)-2-fluorobenzene?
The canonical SMILES for 4-tert-butyl-1-(3,4-difluorophenoxy)-2-fluorobenzene is CC(C)(C)c1ccc(Oc2ccc(F)c(F)c2)c(F)c1.
What is the InChIKey of 4-tert-butyl-1-(3,4-difluorophenoxy)-2-fluorobenzene?
The InChIKey is YFSPYWFFKAVTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O/c1-16(2,3)10-4-7-15(14(19)8-10)20-11-5-6-12(17)13(18)9-11/h4-9H,1-3H3.
What are the key properties of 4-tert-butyl-1-(3,4-difluorophenoxy)-2-fluorobenzene?
4-tert-butyl-1-(3,4-difluorophenoxy)-2-fluorobenzene has a molecular weight of 280.29 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(3,4-difluorophenoxy)-2-fluorobenzene is sourced from PubChem (CID 167344163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).