2,3-difluoro-1-(3-fluorobutoxy)-4-(3-methylpentoxy)benzene

C16H23F3O2 — CID 153282577

IUPAC2,3-difluoro-1-(3-fluorobutoxy)-4-(3-methylpentoxy)benzene
SMILESCCC(C)CCOc1ccc(OCCC(C)F)c(F)c1F
InChIInChI=1S/C16H23F3O2/c1-4-11(2)7-9-20-13-5-6-14(16(19)15(13)18)21-10-8-12(3)17/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeySBQSRXVSIVQUFC-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.91
Rot. Bonds9

About 2,3-difluoro-1-(3-fluorobutoxy)-4-(3-methylpentoxy)benzene

2,3-difluoro-1-(3-fluorobutoxy)-4-(3-methylpentoxy)benzene (PubChem CID 153282577) has the molecular formula C16H23F3O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2,3-difluoro-1-(3-fluorobutoxy)-4-(3-methylpentoxy)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-(3-fluorobutoxy)-4-(3-methylpentoxy)benzene
PubChem CID153282577
Molecular FormulaC16H23F3O2
Molecular Weight304.35 g/mol
Exact Mass304.17
IUPAC Name2,3-difluoro-1-(3-fluorobutoxy)-4-(3-methylpentoxy)benzene
SMILESCCC(C)CCOc1ccc(OCCC(C)F)c(F)c1F
InChIInChI=1S/C16H23F3O2/c1-4-11(2)7-9-20-13-5-6-14(16(19)15(13)18)21-10-8-12(3)17/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeySBQSRXVSIVQUFC-UHFFFAOYSA-N
XLogP4.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene
CID 153282509
1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene
CID 170380825
4,6-difluoro-3-[(2R)-2-methylbutoxy]-7-(3-methylbutoxy)dibenzothiophene
CID 163262104
4,6-difluoro-3-(2-methylbutoxy)-7-(3-methylbutoxy)dibenzothiophene
CID 167029200
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
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
2,3-difluoro-1-(3-fluoropropoxy)-4-propan-2-yloxybenzene
CID 170380810
1-butoxy-2,3-difluoro-4-methoxybenzene
CID 118933366
1-butoxy-2,3,4-trifluorobenzene
CID 53441447
1-[2-hydroxy-6-(3-methylpentoxy)phenyl]ethanone
CID 163755781
1-butoxy-2,3-difluoro-4-(4-fluorobutoxy)benzene
CID 153282559

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(3-fluorobutoxy)-4-(3-methylpentoxy)benzene?
The IUPAC name of 2,3-difluoro-1-(3-fluorobutoxy)-4-(3-methylpentoxy)benzene (CID 153282577) is 2,3-difluoro-1-(3-fluorobutoxy)-4-(3-methylpentoxy)benzene.
What is the SMILES notation for 2,3-difluoro-1-(3-fluorobutoxy)-4-(3-methylpentoxy)benzene?
The canonical SMILES for 2,3-difluoro-1-(3-fluorobutoxy)-4-(3-methylpentoxy)benzene is CCC(C)CCOc1ccc(OCCC(C)F)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-(3-fluorobutoxy)-4-(3-methylpentoxy)benzene?
The InChIKey is SBQSRXVSIVQUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3O2/c1-4-11(2)7-9-20-13-5-6-14(16(19)15(13)18)21-10-8-12(3)17/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of 2,3-difluoro-1-(3-fluorobutoxy)-4-(3-methylpentoxy)benzene?
2,3-difluoro-1-(3-fluorobutoxy)-4-(3-methylpentoxy)benzene has a molecular weight of 304.35 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-(3-fluorobutoxy)-4-(3-methylpentoxy)benzene is sourced from PubChem (CID 153282577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).