2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene

C18H26F4O2 — CID 153282509

IUPAC2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene
SMILESCCC(F)CCCOc1ccc(OCCCC(F)CC)c(F)c1F
InChIInChI=1S/C18H26F4O2/c1-3-13(19)7-5-11-23-15-9-10-16(18(22)17(15)21)24-12-6-8-14(20)4-2/h9-10,13-14H,3-8,11-12H2,1-2H3
InChIKeyCYVOEVVETMLTKA-UHFFFAOYSA-N
MW350.40 g/mol
LogP5.78
Rot. Bonds12

About 2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene

2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene (PubChem CID 153282509) has the molecular formula C18H26F4O2 and a molecular weight of 350.40 g/mol. Its IUPAC name is 2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene.

Molecular Properties

Compound Name2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene
PubChem CID153282509
Molecular FormulaC18H26F4O2
Molecular Weight350.40 g/mol
Exact Mass350.19
IUPAC Name2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene
SMILESCCC(F)CCCOc1ccc(OCCCC(F)CC)c(F)c1F
InChIInChI=1S/C18H26F4O2/c1-3-13(19)7-5-11-23-15-9-10-16(18(22)17(15)21)24-12-6-8-14(20)4-2/h9-10,13-14H,3-8,11-12H2,1-2H3
InChIKeyCYVOEVVETMLTKA-UHFFFAOYSA-N
XLogP5.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.40
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-1-(3-fluorobutoxy)-4-(3-methylpentoxy)benzene
CID 153282577
1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene
CID 170380825
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
2,3-difluoro-4-(2-fluorobutoxy)phenol
CID 148965171
1-butoxy-2,3-difluoro-4-methoxybenzene
CID 118933366
1-butoxy-2,3,4-trifluorobenzene
CID 53441447
2,3-difluoro-1-(2-fluorobutoxy)-4-prop-2-enoxybenzene
CID 153282355
1-butoxy-2,3-difluoro-4-(4-fluorobutoxy)benzene
CID 153282559
3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene
CID 125470974
2,3-difluoro-1-(2-fluorobutoxy)-4-[(E)-4-methylpent-2-enoxy]benzene
CID 153282415
1-(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene
CID 153282442
1-(2,2-difluoro-3-methylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene
CID 153282655

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene?
The IUPAC name of 2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene (CID 153282509) is 2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene.
What is the SMILES notation for 2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene?
The canonical SMILES for 2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene is CCC(F)CCCOc1ccc(OCCCC(F)CC)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene?
The InChIKey is CYVOEVVETMLTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F4O2/c1-3-13(19)7-5-11-23-15-9-10-16(18(22)17(15)21)24-12-6-8-14(20)4-2/h9-10,13-14H,3-8,11-12H2,1-2H3.
What are the key properties of 2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene?
2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene has a molecular weight of 350.40 g/mol, XLogP of 5.78, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene is sourced from PubChem (CID 153282509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).