1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene

C15H20F2O2 — CID 126583756

IUPAC1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene
SMILESCC/C=C\COc1ccc(OCCCC)c(F)c1F
InChIInChI=1S/C15H20F2O2/c1-3-5-7-11-19-13-9-8-12(14(16)15(13)17)18-10-6-4-2/h5,7-9H,3-4,6,10-11H2,1-2H3/b7-5-
InChIKeyTTZOASFKKVQYAJ-ALCCZGGFSA-N
MW270.32 g/mol
LogP4.49
Rot. Bonds8

About 1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene

1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene (PubChem CID 126583756) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene.

Molecular Properties

Compound Name1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene
PubChem CID126583756
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene
SMILESCC/C=C\COc1ccc(OCCCC)c(F)c1F
InChIInChI=1S/C15H20F2O2/c1-3-5-7-11-19-13-9-8-12(14(16)15(13)17)18-10-6-4-2/h5,7-9H,3-4,6,10-11H2,1-2H3/b7-5-
InChIKeyTTZOASFKKVQYAJ-ALCCZGGFSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-butoxy-2,3-difluoro-4-methoxybenzene
CID 118933366
1-butoxy-2,3,4-trifluorobenzene
CID 53441447
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
1-butoxy-2,3-difluoro-4-(4-fluorobutoxy)benzene
CID 153282559
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
1-butoxy-2,3-difluoro-4-(3-methylbutoxy)benzene
CID 170380825
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-(4-pentylcyclohexyl)prop-2-enoxy]-4-propoxybenzene
CID 57031515
2,3-difluoro-1-iodo-4-pentoxybenzene
CID 20632201
1-[4-[2,3-difluoro-4-(4-nonylcyclohexyl)phenyl]phenyl]-2,3-difluoro-4-[(E)-pent-2-enoxy]benzene
CID 67731026

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene?
The IUPAC name of 1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene (CID 126583756) is 1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene.
What is the SMILES notation for 1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene?
The canonical SMILES for 1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene is CC/C=C\COc1ccc(OCCCC)c(F)c1F.
What is the InChIKey of 1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene?
The InChIKey is TTZOASFKKVQYAJ-ALCCZGGFSA-N. The full InChI is InChI=1S/C15H20F2O2/c1-3-5-7-11-19-13-9-8-12(14(16)15(13)17)18-10-6-4-2/h5,7-9H,3-4,6,10-11H2,1-2H3/b7-5-.
What are the key properties of 1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene?
1-butoxy-2,3-difluoro-4-[(Z)-pent-2-enoxy]benzene has a molecular weight of 270.32 g/mol, XLogP of 4.49, 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-[(Z)-pent-2-enoxy]benzene is sourced from PubChem (CID 126583756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).