2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene

C17H18F2O — CID 64765519

IUPAC2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene
SMILESCC(C)(C)c1ccccc1OCc1cc(F)ccc1F
InChIInChI=1S/C17H18F2O/c1-17(2,3)14-6-4-5-7-16(14)20-11-12-10-13(18)8-9-15(12)19/h4-10H,11H2,1-3H3
InChIKeyVFOAIWXHDXZXJO-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.84
Rot. Bonds3

About 2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene

2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene (PubChem CID 64765519) has the molecular formula C17H18F2O and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene.

Molecular Properties

Compound Name2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene
PubChem CID64765519
Molecular FormulaC17H18F2O
Molecular Weight276.33 g/mol
Exact Mass276.13
IUPAC Name2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene
SMILESCC(C)(C)c1ccccc1OCc1cc(F)ccc1F
InChIInChI=1S/C17H18F2O/c1-17(2,3)14-6-4-5-7-16(14)20-11-12-10-13(18)8-9-15(12)19/h4-10H,11H2,1-3H3
InChIKeyVFOAIWXHDXZXJO-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-tert-butylphenoxy)methyl]-5-fluoroaniline
CID 64768828
2-[(2-ethoxyphenoxy)methyl]-1,4-difluorobenzene
CID 112842348
4-[(2-tert-butylphenoxy)methyl]-3-fluoroaniline
CID 64769075
2-[(2-tert-butylphenoxy)methyl]-4-chloroaniline
CID 79582500
4-[(2-tert-butylphenoxy)methyl]-2-chloro-1-fluorobenzene
CID 103041745
1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene
CID 19165261
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281
1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene
CID 64765327
4-fluoro-2-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 43443841
1-[2-(2-tert-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314125
5-[(2-tert-butylphenoxy)methyl]-2,4-dichloropyridine
CID 116519317
2-[(2-tert-butylphenoxy)methyl]-3-fluoroaniline
CID 63331805

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene?
The IUPAC name of 2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene (CID 64765519) is 2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene.
What is the SMILES notation for 2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene?
The canonical SMILES for 2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene is CC(C)(C)c1ccccc1OCc1cc(F)ccc1F.
What is the InChIKey of 2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene?
The InChIKey is VFOAIWXHDXZXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O/c1-17(2,3)14-6-4-5-7-16(14)20-11-12-10-13(18)8-9-15(12)19/h4-10H,11H2,1-3H3.
What are the key properties of 2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene?
2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene has a molecular weight of 276.33 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene is sourced from PubChem (CID 64765519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).