2,3-difluoro-1-(2-fluorobutoxy)-4-[(E)-4-methylpent-2-enoxy]benzene

C16H21F3O2 — CID 153282415

IUPAC2,3-difluoro-1-(2-fluorobutoxy)-4-[(E)-4-methylpent-2-enoxy]benzene
SMILESCCC(F)COc1ccc(OC/C=C/C(C)C)c(F)c1F
InChIInChI=1S/C16H21F3O2/c1-4-12(17)10-21-14-8-7-13(15(18)16(14)19)20-9-5-6-11(2)3/h5-8,11-12H,4,9-10H2,1-3H3/b6-5+
InChIKeySSCQPPAUIAIYMI-AATRIKPKSA-N
MW302.34 g/mol
LogP4.68
Rot. Bonds8

About 2,3-difluoro-1-(2-fluorobutoxy)-4-[(E)-4-methylpent-2-enoxy]benzene

2,3-difluoro-1-(2-fluorobutoxy)-4-[(E)-4-methylpent-2-enoxy]benzene (PubChem CID 153282415) has the molecular formula C16H21F3O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2,3-difluoro-1-(2-fluorobutoxy)-4-[(E)-4-methylpent-2-enoxy]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-(2-fluorobutoxy)-4-[(E)-4-methylpent-2-enoxy]benzene
PubChem CID153282415
Molecular FormulaC16H21F3O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name2,3-difluoro-1-(2-fluorobutoxy)-4-[(E)-4-methylpent-2-enoxy]benzene
SMILESCCC(F)COc1ccc(OC/C=C/C(C)C)c(F)c1F
InChIInChI=1S/C16H21F3O2/c1-4-12(17)10-21-14-8-7-13(15(18)16(14)19)20-9-5-6-11(2)3/h5-8,11-12H,4,9-10H2,1-3H3/b6-5+
InChIKeySSCQPPAUIAIYMI-AATRIKPKSA-N
XLogP4.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-(2-fluorobutoxy)-4-prop-2-enoxybenzene
CID 153282355
2,3-difluoro-4-(2-fluorobutoxy)phenol
CID 148965171
1-(2,2-difluoro-3-methylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene
CID 153282655
1-(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluoro-4-(2-fluorobutoxy)benzene
CID 153282442
2,3-difluoro-1,4-bis(4-fluorohexoxy)benzene
CID 153282509
1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene
CID 126583756
2,3-difluoro-1-(3-fluorobutoxy)-4-(3-methylpentoxy)benzene
CID 153282577
1-[(E)-but-2-enoxy]-4-butoxy-2,3-difluorobenzene
CID 170380762
tris(2,3-difluoro-1-methyl-4-[(Z)-pent-2-enoxy]benzene);2,3-difluoro-1-methyl-4-prop-2-enoxybenzene
CID 157453957
1-bromo-4-(2,2-difluoroethoxy)-2,3-difluorobenzene
CID 138986532
2,3-difluoro-1-methoxy-4-[(E)-3-(1-pentan-2-ylcyclohexyl)prop-2-enoxy]benzene
CID 70365821
1-(2,3,4-trifluorophenoxy)propan-2-amine
CID 83396701

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(2-fluorobutoxy)-4-[(E)-4-methylpent-2-enoxy]benzene?
The IUPAC name of 2,3-difluoro-1-(2-fluorobutoxy)-4-[(E)-4-methylpent-2-enoxy]benzene (CID 153282415) is 2,3-difluoro-1-(2-fluorobutoxy)-4-[(E)-4-methylpent-2-enoxy]benzene.
What is the SMILES notation for 2,3-difluoro-1-(2-fluorobutoxy)-4-[(E)-4-methylpent-2-enoxy]benzene?
The canonical SMILES for 2,3-difluoro-1-(2-fluorobutoxy)-4-[(E)-4-methylpent-2-enoxy]benzene is CCC(F)COc1ccc(OC/C=C/C(C)C)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-(2-fluorobutoxy)-4-[(E)-4-methylpent-2-enoxy]benzene?
The InChIKey is SSCQPPAUIAIYMI-AATRIKPKSA-N. The full InChI is InChI=1S/C16H21F3O2/c1-4-12(17)10-21-14-8-7-13(15(18)16(14)19)20-9-5-6-11(2)3/h5-8,11-12H,4,9-10H2,1-3H3/b6-5+.
What are the key properties of 2,3-difluoro-1-(2-fluorobutoxy)-4-[(E)-4-methylpent-2-enoxy]benzene?
2,3-difluoro-1-(2-fluorobutoxy)-4-[(E)-4-methylpent-2-enoxy]benzene has a molecular weight of 302.34 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-(2-fluorobutoxy)-4-[(E)-4-methylpent-2-enoxy]benzene is sourced from PubChem (CID 153282415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).