1-butoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene

C19H19F3O2 — CID 118191516

IUPAC1-butoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene
SMILESC=CCOc1ccc(-c2ccc(OCCCC)c(F)c2F)c(F)c1
InChIInChI=1S/C19H19F3O2/c1-3-5-11-24-17-9-8-15(18(21)19(17)22)14-7-6-13(12-16(14)20)23-10-4-2/h4,6-9,12H,2-3,5,10-11H2,1H3
InChIKeyOTFJUURCXBIMOP-UHFFFAOYSA-N
MW336.35 g/mol
LogP5.51
Rot. Bonds8

About 1-butoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene

1-butoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene (PubChem CID 118191516) has the molecular formula C19H19F3O2 and a molecular weight of 336.35 g/mol. Its IUPAC name is 1-butoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene.

Molecular Properties

Compound Name1-butoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene
PubChem CID118191516
Molecular FormulaC19H19F3O2
Molecular Weight336.35 g/mol
Exact Mass336.13
IUPAC Name1-butoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene
SMILESC=CCOc1ccc(-c2ccc(OCCCC)c(F)c2F)c(F)c1
InChIInChI=1S/C19H19F3O2/c1-3-5-11-24-17-9-8-15(18(21)19(17)22)14-7-6-13(12-16(14)20)23-10-4-2/h4,6-9,12H,2-3,5,10-11H2,1H3
InChIKeyOTFJUURCXBIMOP-UHFFFAOYSA-N
XLogP5.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.35
LogP ≤ 55.51
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'}

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Related Compounds

1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene
CID 118191513
[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl] prop-2-enoate
CID 146247306
2,3-difluoro-1-(2-fluoro-4-methylphenyl)-4-octoxybenzene
CID 58500753
5-[4-(4-butoxy-2,3-difluorophenyl)-3-fluorophenyl]-2-ethenyloxane
CID 126764940
4-[4-[5-ethenyl-9-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]nonoxy]-2-fluorophenyl]-2,3-difluorophenol
CID 134277315
1-decoxy-2,3-difluoro-4-(2-fluoro-4-nonylphenyl)benzene
CID 70190083
1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-propoxybenzene
CID 125478760
1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 118191628
1-[4-[(4-but-3-enoxy-3-fluorophenoxy)methyl]phenyl]-4-(4-butoxyphenyl)-2,3-difluorobenzene
CID 89430722
2,3-difluoro-1-[3-fluoro-4-(4-prop-2-enylphenyl)phenyl]-4-heptoxybenzene
CID 20621635
1-butoxy-2,3,4-trifluorobenzene
CID 53441447
2-[4-[4-(2,3-difluoro-4-methylphenyl)-3-fluorophenoxy]butyl]-6-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]hexanal
CID 134273661

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene?
The IUPAC name of 1-butoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene (CID 118191516) is 1-butoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene.
What is the SMILES notation for 1-butoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene?
The canonical SMILES for 1-butoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene is C=CCOc1ccc(-c2ccc(OCCCC)c(F)c2F)c(F)c1.
What is the InChIKey of 1-butoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene?
The InChIKey is OTFJUURCXBIMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O2/c1-3-5-11-24-17-9-8-15(18(21)19(17)22)14-7-6-13(12-16(14)20)23-10-4-2/h4,6-9,12H,2-3,5,10-11H2,1H3.
What are the key properties of 1-butoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene?
1-butoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene has a molecular weight of 336.35 g/mol, XLogP of 5.51, 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-(2-fluoro-4-prop-2-enoxyphenyl)benzene is sourced from PubChem (CID 118191516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).