1-(4-tert-butylphenoxy)-2,4-difluorobenzene

C16H16F2O — CID 70799684

IUPAC1-(4-tert-butylphenoxy)-2,4-difluorobenzene
SMILESCC(C)(C)c1ccc(Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H16F2O/c1-16(2,3)11-4-7-13(8-5-11)19-15-9-6-12(17)10-14(15)18/h4-10H,1-3H3
InChIKeyFBODQOBQWWABLZ-UHFFFAOYSA-N
MW262.30 g/mol
LogP5.05
Rot. Bonds2

About 1-(4-tert-butylphenoxy)-2,4-difluorobenzene

1-(4-tert-butylphenoxy)-2,4-difluorobenzene (PubChem CID 70799684) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(4-tert-butylphenoxy)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(4-tert-butylphenoxy)-2,4-difluorobenzene
PubChem CID70799684
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name1-(4-tert-butylphenoxy)-2,4-difluorobenzene
SMILESCC(C)(C)c1ccc(Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H16F2O/c1-16(2,3)11-4-7-13(8-5-11)19-15-9-6-12(17)10-14(15)18/h4-10H,1-3H3
InChIKeyFBODQOBQWWABLZ-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.30
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenoxy)-5-fluoroaniline
CID 26189672
4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline
CID 176688686
1-(4-ethylphenoxy)-2,4-difluorobenzene
CID 70811757
(1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol
CID 78944719
4-tert-butyl-1-(3,4-difluorophenoxy)-2-fluorobenzene
CID 167344163
4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide
CID 146306005
2-fluoro-1-(4-fluorophenoxy)-4-methoxybenzene
CID 174755555
2,4-difluoro-1-(4-nitrophenoxy)benzene
CID 3015409
4-(2,4-difluorophenoxy)benzoyl chloride
CID 90119275
4-[4-(1,1-difluoroethyl)phenoxy]-3-fluoro-N,N-dimethylbenzamide
CID 162134350
3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol
CID 54201051
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenoxy)-2,4-difluorobenzene?
The IUPAC name of 1-(4-tert-butylphenoxy)-2,4-difluorobenzene (CID 70799684) is 1-(4-tert-butylphenoxy)-2,4-difluorobenzene.
What is the SMILES notation for 1-(4-tert-butylphenoxy)-2,4-difluorobenzene?
The canonical SMILES for 1-(4-tert-butylphenoxy)-2,4-difluorobenzene is CC(C)(C)c1ccc(Oc2ccc(F)cc2F)cc1.
What is the InChIKey of 1-(4-tert-butylphenoxy)-2,4-difluorobenzene?
The InChIKey is FBODQOBQWWABLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c1-16(2,3)11-4-7-13(8-5-11)19-15-9-6-12(17)10-14(15)18/h4-10H,1-3H3.
What are the key properties of 1-(4-tert-butylphenoxy)-2,4-difluorobenzene?
1-(4-tert-butylphenoxy)-2,4-difluorobenzene has a molecular weight of 262.30 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenoxy)-2,4-difluorobenzene is sourced from PubChem (CID 70799684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).