1,3-difluoro-2,5-dipentylbenzene

C16H24F2 — CID 138738043

IUPAC1,3-difluoro-2,5-dipentylbenzene
SMILESCCCCCc1cc(F)c(CCCCC)c(F)c1
InChIInChI=1S/C16H24F2/c1-3-5-7-9-13-11-15(17)14(16(18)12-13)10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyOZUGXIDPOOGQSL-UHFFFAOYSA-N
MW254.36 g/mol
LogP5.43
Rot. Bonds8

About 1,3-difluoro-2,5-dipentylbenzene

1,3-difluoro-2,5-dipentylbenzene (PubChem CID 138738043) has the molecular formula C16H24F2 and a molecular weight of 254.36 g/mol. Its IUPAC name is 1,3-difluoro-2,5-dipentylbenzene.

Molecular Properties

Compound Name1,3-difluoro-2,5-dipentylbenzene
PubChem CID138738043
Molecular FormulaC16H24F2
Molecular Weight254.36 g/mol
Exact Mass254.18
IUPAC Name1,3-difluoro-2,5-dipentylbenzene
SMILESCCCCCc1cc(F)c(CCCCC)c(F)c1
InChIInChI=1S/C16H24F2/c1-3-5-7-9-13-11-15(17)14(16(18)12-13)10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyOZUGXIDPOOGQSL-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.36
LogP ≤ 55.43
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

1,3,5-trifluoro-2-heptylbenzene
CID 59545279
5-[4-[7-[4-(3,5-difluoro-4-pentylphenyl)phenyl]heptyl]phenyl]-1,3-difluoro-2-pentylbenzene
CID 121343129
5-bromo-1,3-difluoro-2-octylbenzene
CID 167507433
(2,6-difluoro-4-pentylphenyl)-trimethylsilane
CID 15751979
2-(difluoromethyl)-1,3-difluoro-5-heptylbenzene
CID 20653964
2,5-dihexyl-1,3-dimethylbenzene
CID 123511900
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
2-fluoro-4-pentylaniline
CID 146198864
1-methyl-3,5-di(pentadecyl)benzene
CID 58289216
1-fluoro-2-isothiocyanato-3-methyl-5-pentylbenzene
CID 21304347
2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol
CID 18552265
5-butyl-1,2,3-tridodecylbenzene
CID 91450595

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2,5-dipentylbenzene?
The IUPAC name of 1,3-difluoro-2,5-dipentylbenzene (CID 138738043) is 1,3-difluoro-2,5-dipentylbenzene.
What is the SMILES notation for 1,3-difluoro-2,5-dipentylbenzene?
The canonical SMILES for 1,3-difluoro-2,5-dipentylbenzene is CCCCCc1cc(F)c(CCCCC)c(F)c1.
What is the InChIKey of 1,3-difluoro-2,5-dipentylbenzene?
The InChIKey is OZUGXIDPOOGQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2/c1-3-5-7-9-13-11-15(17)14(16(18)12-13)10-8-6-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1,3-difluoro-2,5-dipentylbenzene?
1,3-difluoro-2,5-dipentylbenzene has a molecular weight of 254.36 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2,5-dipentylbenzene is sourced from PubChem (CID 138738043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).