1,4-bis(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluorobenzene

C18H24F6O2 — CID 153282501

IUPAC1,4-bis(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluorobenzene
SMILESCC(C)(C)C(F)(F)COc1ccc(OCC(F)(F)C(C)(C)C)c(F)c1F
InChIInChI=1S/C18H24F6O2/c1-15(2,3)17(21,22)9-25-11-7-8-12(14(20)13(11)19)26-10-18(23,24)16(4,5)6/h7-8H,9-10H2,1-6H3
InChIKeyVNXLQDBRQQNGNZ-UHFFFAOYSA-N
MW386.38 g/mol
LogP6.09
Rot. Bonds6

About 1,4-bis(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluorobenzene

1,4-bis(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluorobenzene (PubChem CID 153282501) has the molecular formula C18H24F6O2 and a molecular weight of 386.38 g/mol. Its IUPAC name is 1,4-bis(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluorobenzene.

Molecular Properties

Compound Name1,4-bis(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluorobenzene
PubChem CID153282501
Molecular FormulaC18H24F6O2
Molecular Weight386.38 g/mol
Exact Mass386.17
IUPAC Name1,4-bis(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluorobenzene
SMILESCC(C)(C)C(F)(F)COc1ccc(OCC(F)(F)C(C)(C)C)c(F)c1F
InChIInChI=1S/C18H24F6O2/c1-15(2,3)17(21,22)9-25-11-7-8-12(14(20)13(11)19)26-10-18(23,24)16(4,5)6/h7-8H,9-10H2,1-6H3
InChIKeyVNXLQDBRQQNGNZ-UHFFFAOYSA-N
XLogP6.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.38
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene
CID 153282442
1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 158664029
1-(2,2-difluorobutoxy)-2,3-difluoro-4-prop-2-enoxybenzene
CID 153282338
1-(2,2-difluoro-3-methylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene
CID 153282655
2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene
CID 174349481
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
1-(2,2-difluoropropoxy)-2,4-dimethylbenzene
CID 121391034
1-(2,3,4-trifluorophenoxy)propan-2-one
CID 83396685
1-(2,3-difluorophenoxy)-2-methylbutan-2-ol
CID 114496070
N-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine
CID 116690237
2-chloro-1-(2-fluoro-2-methylpropoxy)-4-propan-2-ylbenzene
CID 121387225
ethane;1-(2-fluoro-4-propan-2-ylphenoxy)-2-methylpropan-2-ol
CID 142399478

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluorobenzene?
The IUPAC name of 1,4-bis(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluorobenzene (CID 153282501) is 1,4-bis(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluorobenzene.
What is the SMILES notation for 1,4-bis(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluorobenzene?
The canonical SMILES for 1,4-bis(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluorobenzene is CC(C)(C)C(F)(F)COc1ccc(OCC(F)(F)C(C)(C)C)c(F)c1F.
What is the InChIKey of 1,4-bis(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluorobenzene?
The InChIKey is VNXLQDBRQQNGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F6O2/c1-15(2,3)17(21,22)9-25-11-7-8-12(14(20)13(11)19)26-10-18(23,24)16(4,5)6/h7-8H,9-10H2,1-6H3.
What are the key properties of 1,4-bis(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluorobenzene?
1,4-bis(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluorobenzene has a molecular weight of 386.38 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluorobenzene is sourced from PubChem (CID 153282501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).