2-ethyl-1,4-difluorobenzene;octane

C16H26F2 — CID 144692824

IUPAC2-ethyl-1,4-difluorobenzene;octane
SMILESCCCCCCCC.CCc1cc(F)ccc1F
InChIInChI=1S/C8H8F2.C8H18/c1-2-6-5-7(9)3-4-8(6)10;1-3-5-7-8-6-4-2/h3-5H,2H2,1H3;3-8H2,1-2H3
InChIKeyXJYFLJDMTBPCAP-UHFFFAOYSA-N
MW256.38 g/mol
LogP5.89
Rot. Bonds6

About 2-ethyl-1,4-difluorobenzene;octane

2-ethyl-1,4-difluorobenzene;octane (PubChem CID 144692824) has the molecular formula C16H26F2 and a molecular weight of 256.38 g/mol. Its IUPAC name is 2-ethyl-1,4-difluorobenzene;octane.

Molecular Properties

Compound Name2-ethyl-1,4-difluorobenzene;octane
PubChem CID144692824
Molecular FormulaC16H26F2
Molecular Weight256.38 g/mol
Exact Mass256.20
IUPAC Name2-ethyl-1,4-difluorobenzene;octane
SMILESCCCCCCCC.CCc1cc(F)ccc1F
InChIInChI=1S/C8H8F2.C8H18/c1-2-6-5-7(9)3-4-8(6)10;1-3-5-7-8-6-4-2/h3-5H,2H2,1H3;3-8H2,1-2H3
InChIKeyXJYFLJDMTBPCAP-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.38
LogP ≤ 55.89
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-ethyl-1,4-difluorobenzene
CID 23202513
1-(2,5-difluorophenyl)octan-2-ol
CID 63901614
1-(2,5-difluorophenyl)-N-methylundecan-2-amine
CID 115810021
4-O-[(2,5-difluorophenyl)methyl] 1-O-hexadecyl butanedioate
CID 91712941
10-O-[(2,5-difluorophenyl)methyl] 1-O-pentyl decanedioate
CID 91713092
N-[(2,5-difluorophenyl)methyl]butane-1-sulfonamide
CID 110780977
2,4-difluoro-1-pentylbenzene
CID 20770613
1-(2,5-difluorophenyl)dodecan-1-one
CID 65448171
4-fluoro-2-heptylaniline
CID 67191637
1,4-difluoro-2-hexoxybenzene
CID 23437312
N-(2-chloroethyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine
CID 63389032
2,5-difluoro-N-hexylaniline
CID 28877091

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,4-difluorobenzene;octane?
The IUPAC name of 2-ethyl-1,4-difluorobenzene;octane (CID 144692824) is 2-ethyl-1,4-difluorobenzene;octane.
What is the SMILES notation for 2-ethyl-1,4-difluorobenzene;octane?
The canonical SMILES for 2-ethyl-1,4-difluorobenzene;octane is CCCCCCCC.CCc1cc(F)ccc1F.
What is the InChIKey of 2-ethyl-1,4-difluorobenzene;octane?
The InChIKey is XJYFLJDMTBPCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2.C8H18/c1-2-6-5-7(9)3-4-8(6)10;1-3-5-7-8-6-4-2/h3-5H,2H2,1H3;3-8H2,1-2H3.
What are the key properties of 2-ethyl-1,4-difluorobenzene;octane?
2-ethyl-1,4-difluorobenzene;octane has a molecular weight of 256.38 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,4-difluorobenzene;octane is sourced from PubChem (CID 144692824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).