1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene

C17H16F4 — CID 123581052

IUPAC1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene
SMILESCCCc1ccc(-c2ccc(CC)c(F)c2F)c(F)c1F
InChIInChI=1S/C17H16F4/c1-3-5-11-7-9-13(17(21)15(11)19)12-8-6-10(4-2)14(18)16(12)20/h6-9H,3-5H2,1-2H3
InChIKeyMTRUZRULENBYRD-UHFFFAOYSA-N
MW296.31 g/mol
LogP5.42
Rot. Bonds4

About 1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene

1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene (PubChem CID 123581052) has the molecular formula C17H16F4 and a molecular weight of 296.31 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene
PubChem CID123581052
Molecular FormulaC17H16F4
Molecular Weight296.31 g/mol
Exact Mass296.12
IUPAC Name1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene
SMILESCCCc1ccc(-c2ccc(CC)c(F)c2F)c(F)c1F
InChIInChI=1S/C17H16F4/c1-3-5-11-7-9-13(17(21)15(11)19)12-8-6-10(4-2)14(18)16(12)20/h6-9H,3-5H2,1-2H3
InChIKeyMTRUZRULENBYRD-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.31
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627
1-butyl-4-ethyl-2,3-difluorobenzene
CID 139904703
2-(2,3-difluoro-4-propylphenyl)-6-ethyl-3,4,5-trifluoro-9H-xanthene
CID 118891234
1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone
CID 142331657
2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol
CID 69428161
1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene
CID 20727464
1-[4-[2-(4-ethyl-3-fluorophenyl)ethynyl]phenyl]-2,3-difluoro-4-propylbenzene
CID 58141688
2,3-difluoro-1-[4-(3-fluoro-4-iodophenyl)phenyl]-4-propylbenzene
CID 10961394
2,3-difluoro-4-propylphenol
CID 14495704
1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 118911713
1-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331692
2,3-difluoro-4-heptylbenzaldehyde;2,3-difluoro-4-pentylbenzaldehyde;2,3-difluoro-4-propylbenzaldehyde;4-ethyl-2,3-difluorobenzaldehyde
CID 159912257

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene?
The IUPAC name of 1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene (CID 123581052) is 1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene.
What is the SMILES notation for 1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene?
The canonical SMILES for 1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene is CCCc1ccc(-c2ccc(CC)c(F)c2F)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene?
The InChIKey is MTRUZRULENBYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4/c1-3-5-11-7-9-13(17(21)15(11)19)12-8-6-10(4-2)14(18)16(12)20/h6-9H,3-5H2,1-2H3.
What are the key properties of 1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene?
1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene has a molecular weight of 296.31 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene is sourced from PubChem (CID 123581052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).