1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene

C19H22F2 — CID 118911713

IUPAC1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(CC)c(F)c2F)cc1
InChIInChI=1S/C19H22F2/c1-3-5-6-7-14-8-10-16(11-9-14)17-13-12-15(4-2)18(20)19(17)21/h8-13H,3-7H2,1-2H3
InChIKeyYKOUUUOJVNSUSY-UHFFFAOYSA-N
MW288.38 g/mol
LogP5.93
Rot. Bonds6

About 1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene

1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene (PubChem CID 118911713) has the molecular formula C19H22F2 and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene.

Molecular Properties

Compound Name1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
PubChem CID118911713
Molecular FormulaC19H22F2
Molecular Weight288.38 g/mol
Exact Mass288.17
IUPAC Name1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(CC)c(F)c2F)cc1
InChIInChI=1S/C19H22F2/c1-3-5-6-7-14-8-10-16(11-9-14)17-13-12-15(4-2)18(20)19(17)21/h8-13H,3-7H2,1-2H3
InChIKeyYKOUUUOJVNSUSY-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.38
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 22960039
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
2,3-difluoro-1,4-bis(4-pentylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 91519277
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene
CID 20679712
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene
CID 146536354
2,3-difluoro-1-[2-(4-heptylcyclohexyl)ethyl]-4-(4-heptylphenyl)benzene
CID 67895821
2,3-difluoro-1-(2-fluoro-4-nonylphenyl)-4-(4-nonylphenyl)benzene
CID 10768709
1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene
CID 20727464
1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 88626083
CID 20739222
CID 20739222
2,3-difluoro-1-(4-octoxyphenyl)-4-[4-(4-octylphenyl)phenyl]benzene
CID 19108037

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene?
The IUPAC name of 1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene (CID 118911713) is 1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene.
What is the SMILES notation for 1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene?
The canonical SMILES for 1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene is CCCCCc1ccc(-c2ccc(CC)c(F)c2F)cc1.
What is the InChIKey of 1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene?
The InChIKey is YKOUUUOJVNSUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2/c1-3-5-6-7-14-8-10-16(11-9-14)17-13-12-15(4-2)18(20)19(17)21/h8-13H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene?
1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene has a molecular weight of 288.38 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene is sourced from PubChem (CID 118911713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).