1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene

C15H22F2O2 — CID 170380825

IUPAC1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene
SMILESCCCCOc1ccc(OCCC(C)C)c(F)c1F
InChIInChI=1S/C15H22F2O2/c1-4-5-9-18-12-6-7-13(15(17)14(12)16)19-10-8-11(2)3/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyATRUZRXIPGVJDZ-UHFFFAOYSA-N
MW272.33 g/mol
LogP4.57
Rot. Bonds8

About 1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene

1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene (PubChem CID 170380825) has the molecular formula C15H22F2O2 and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene.

Molecular Properties

Compound Name1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene
PubChem CID170380825
Molecular FormulaC15H22F2O2
Molecular Weight272.33 g/mol
Exact Mass272.16
IUPAC Name1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene
SMILESCCCCOc1ccc(OCCC(C)C)c(F)c1F
InChIInChI=1S/C15H22F2O2/c1-4-5-9-18-12-6-7-13(15(17)14(12)16)19-10-8-11(2)3/h6-7,11H,4-5,8-10H2,1-3H3
InChIKeyATRUZRXIPGVJDZ-UHFFFAOYSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 54.57
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

1-butoxy-2,3-difluoro-4-methoxybenzene
CID 118933366
1-butoxy-2,3,4-trifluorobenzene
CID 53441447
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
3-butoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzofuran
CID 121245762
1-butoxy-2,3-difluoro-4-(4-fluorobutoxy)benzene
CID 153282559
1-[(E)-but-2-enoxy]-4-butoxy-2,3-difluorobenzene
CID 170380762
1-butoxy-2,3-difluoro-4-heptoxybenzene;1-butoxy-2,3-difluoro-4-hexoxybenzene;1-butoxy-2,3-difluoro-4-octoxybenzene;1-butoxy-2,3-difluoro-4-pentoxybenzene;2,3-difluoro-1-methoxy-4-nonoxybenzene;2,3-difluoro-1-methoxy-4-octoxybenzene
CID 159048658
2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene
CID 153282509
1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene
CID 126583756
bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene)
CID 162113743
2,3-difluoro-1-(3-fluorobutoxy)-4-(3-methylpentoxy)benzene
CID 153282577
3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene
CID 125470974

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene?
The IUPAC name of 1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene (CID 170380825) is 1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene.
What is the SMILES notation for 1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene?
The canonical SMILES for 1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene is CCCCOc1ccc(OCCC(C)C)c(F)c1F.
What is the InChIKey of 1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene?
The InChIKey is ATRUZRXIPGVJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2O2/c1-4-5-9-18-12-6-7-13(15(17)14(12)16)19-10-8-11(2)3/h6-7,11H,4-5,8-10H2,1-3H3.
What are the key properties of 1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene?
1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene has a molecular weight of 272.33 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene is sourced from PubChem (CID 170380825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).