1-(2,3-difluoro-4-pentylphenyl)-2,3-difluoro-4-prop-1-enoxybenzene

C20H20F4O — CID 123708211

IUPAC1-(2,3-difluoro-4-pentylphenyl)-2,3-difluoro-4-prop-1-enoxybenzene
SMILESCC=COc1ccc(-c2ccc(CCCCC)c(F)c2F)c(F)c1F
InChIInChI=1S/C20H20F4O/c1-3-5-6-7-13-8-9-14(18(22)17(13)21)15-10-11-16(25-12-4-2)20(24)19(15)23/h4,8-12H,3,5-7H2,1-2H3
InChIKeyBFZAFUKMSOZENB-UHFFFAOYSA-N
MW352.37 g/mol
LogP6.56
Rot. Bonds7

About 1-(2,3-difluoro-4-pentylphenyl)-2,3-difluoro-4-prop-1-enoxybenzene

1-(2,3-difluoro-4-pentylphenyl)-2,3-difluoro-4-prop-1-enoxybenzene (PubChem CID 123708211) has the molecular formula C20H20F4O and a molecular weight of 352.37 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-pentylphenyl)-2,3-difluoro-4-prop-1-enoxybenzene.

Molecular Properties

Compound Name1-(2,3-difluoro-4-pentylphenyl)-2,3-difluoro-4-prop-1-enoxybenzene
PubChem CID123708211
Molecular FormulaC20H20F4O
Molecular Weight352.37 g/mol
Exact Mass352.15
IUPAC Name1-(2,3-difluoro-4-pentylphenyl)-2,3-difluoro-4-prop-1-enoxybenzene
SMILESCC=COc1ccc(-c2ccc(CCCCC)c(F)c2F)c(F)c1F
InChIInChI=1S/C20H20F4O/c1-3-5-6-7-13-8-9-14(18(22)17(13)21)15-10-11-16(25-12-4-2)20(24)19(15)23/h4,8-12H,3,5-7H2,1-2H3
InChIKeyBFZAFUKMSOZENB-UHFFFAOYSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.37
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-(4-propylphenyl)ethyl]benzene
CID 90161451
2,3-difluoro-1-(2-methoxyethyl)-4-[(E)-prop-1-enoxy]benzene
CID 90128758
1-[2,3-difluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90164821
2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]benzene
CID 90161639
CID 57077754
CID 57077754
2,3-difluoro-1-[4-(4-heptylcyclohexyl)phenyl]-4-[(Z)-prop-1-enoxy]benzene
CID 134358629
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene
CID 146536354
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-octylbenzene
CID 54190896
1-[2-[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]ethyl]-2,3-difluoro-4-[(E)-prop-1-enoxy]benzene
CID 90164855
2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 22960039
2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 90161573
1-[2-(4-decylcyclohexyl)ethyl]-4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorobenzene
CID 59874056

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-pentylphenyl)-2,3-difluoro-4-prop-1-enoxybenzene?
The IUPAC name of 1-(2,3-difluoro-4-pentylphenyl)-2,3-difluoro-4-prop-1-enoxybenzene (CID 123708211) is 1-(2,3-difluoro-4-pentylphenyl)-2,3-difluoro-4-prop-1-enoxybenzene.
What is the SMILES notation for 1-(2,3-difluoro-4-pentylphenyl)-2,3-difluoro-4-prop-1-enoxybenzene?
The canonical SMILES for 1-(2,3-difluoro-4-pentylphenyl)-2,3-difluoro-4-prop-1-enoxybenzene is CC=COc1ccc(-c2ccc(CCCCC)c(F)c2F)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-pentylphenyl)-2,3-difluoro-4-prop-1-enoxybenzene?
The InChIKey is BFZAFUKMSOZENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4O/c1-3-5-6-7-13-8-9-14(18(22)17(13)21)15-10-11-16(25-12-4-2)20(24)19(15)23/h4,8-12H,3,5-7H2,1-2H3.
What are the key properties of 1-(2,3-difluoro-4-pentylphenyl)-2,3-difluoro-4-prop-1-enoxybenzene?
1-(2,3-difluoro-4-pentylphenyl)-2,3-difluoro-4-prop-1-enoxybenzene has a molecular weight of 352.37 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-pentylphenyl)-2,3-difluoro-4-prop-1-enoxybenzene is sourced from PubChem (CID 123708211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).