1,2-difluoro-3-propylbenzene;ethane;1-ethyl-2,4-difluorobenzene

C19H24F4 — CID 143637144

IUPAC1,2-difluoro-3-propylbenzene;ethane;1-ethyl-2,4-difluorobenzene
SMILESCC.CCCc1cccc(F)c1F.CCc1ccc(F)cc1F
InChIInChI=1S/C9H10F2.C8H8F2.C2H6/c1-2-4-7-5-3-6-8(10)9(7)11;1-2-6-3-4-7(9)5-8(6)10;1-2/h3,5-6H,2,4H2,1H3;3-5H,2H2,1H3;1-2H3
InChIKeyKPAVVEJMRHCCJY-UHFFFAOYSA-N
MW328.39 g/mol
LogP6.47
Rot. Bonds3

About 1,2-difluoro-3-propylbenzene;ethane;1-ethyl-2,4-difluorobenzene

1,2-difluoro-3-propylbenzene;ethane;1-ethyl-2,4-difluorobenzene (PubChem CID 143637144) has the molecular formula C19H24F4 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1,2-difluoro-3-propylbenzene;ethane;1-ethyl-2,4-difluorobenzene.

Molecular Properties

Compound Name1,2-difluoro-3-propylbenzene;ethane;1-ethyl-2,4-difluorobenzene
PubChem CID143637144
Molecular FormulaC19H24F4
Molecular Weight328.39 g/mol
Exact Mass328.18
IUPAC Name1,2-difluoro-3-propylbenzene;ethane;1-ethyl-2,4-difluorobenzene
SMILESCC.CCCc1cccc(F)c1F.CCc1ccc(F)cc1F
InChIInChI=1S/C9H10F2.C8H8F2.C2H6/c1-2-4-7-5-3-6-8(10)9(7)11;1-2-6-3-4-7(9)5-8(6)10;1-2/h3,5-6H,2,4H2,1H3;3-5H,2H2,1H3;1-2H3
InChIKeyKPAVVEJMRHCCJY-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.39
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-propylbenzene;ethane;1-ethyl-2,4-difluorobenzene?
The IUPAC name of 1,2-difluoro-3-propylbenzene;ethane;1-ethyl-2,4-difluorobenzene (CID 143637144) is 1,2-difluoro-3-propylbenzene;ethane;1-ethyl-2,4-difluorobenzene.
What is the SMILES notation for 1,2-difluoro-3-propylbenzene;ethane;1-ethyl-2,4-difluorobenzene?
The canonical SMILES for 1,2-difluoro-3-propylbenzene;ethane;1-ethyl-2,4-difluorobenzene is CC.CCCc1cccc(F)c1F.CCc1ccc(F)cc1F.
What is the InChIKey of 1,2-difluoro-3-propylbenzene;ethane;1-ethyl-2,4-difluorobenzene?
The InChIKey is KPAVVEJMRHCCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2.C8H8F2.C2H6/c1-2-4-7-5-3-6-8(10)9(7)11;1-2-6-3-4-7(9)5-8(6)10;1-2/h3,5-6H,2,4H2,1H3;3-5H,2H2,1H3;1-2H3.
What are the key properties of 1,2-difluoro-3-propylbenzene;ethane;1-ethyl-2,4-difluorobenzene?
1,2-difluoro-3-propylbenzene;ethane;1-ethyl-2,4-difluorobenzene has a molecular weight of 328.39 g/mol, XLogP of 6.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-propylbenzene;ethane;1-ethyl-2,4-difluorobenzene is sourced from PubChem (CID 143637144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).