1,3-dipentylbenzene;fluorobenzene

C22H31F — CID 174957175

IUPAC1,3-dipentylbenzene;fluorobenzene
SMILESCCCCCc1cccc(CCCCC)c1.Fc1ccccc1
InChIInChI=1S/C16H26.C6H5F/c1-3-5-7-10-15-12-9-13-16(14-15)11-8-6-4-2;7-6-4-2-1-3-5-6/h9,12-14H,3-8,10-11H2,1-2H3;1-5H
InChIKeySKNJJKVTGNAWQM-UHFFFAOYSA-N
MW314.49 g/mol
LogP6.98
Rot. Bonds8

About 1,3-dipentylbenzene;fluorobenzene

1,3-dipentylbenzene;fluorobenzene (PubChem CID 174957175) has the molecular formula C22H31F and a molecular weight of 314.49 g/mol. Its IUPAC name is 1,3-dipentylbenzene;fluorobenzene.

Molecular Properties

Compound Name1,3-dipentylbenzene;fluorobenzene
PubChem CID174957175
Molecular FormulaC22H31F
Molecular Weight314.49 g/mol
Exact Mass314.24
IUPAC Name1,3-dipentylbenzene;fluorobenzene
SMILESCCCCCc1cccc(CCCCC)c1.Fc1ccccc1
InChIInChI=1S/C16H26.C6H5F/c1-3-5-7-10-15-12-9-13-16(14-15)11-8-6-4-2;7-6-4-2-1-3-5-6/h9,12-14H,3-8,10-11H2,1-2H3;1-5H
InChIKeySKNJJKVTGNAWQM-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.49
LogP ≤ 56.98
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-di(tetradecyl)benzene
CID 91053224
fluorobenzene;hexane
CID 158112243
1-benzyl-3-pentadecylbenzene
CID 173121378
but-1-yne;1-fluoro-3-pentylbenzene
CID 174779976
acetylene;1-butyl-3-fluorobenzene
CID 142913636
acetic acid;1-fluoro-3-pentylbenzene;guanidine
CID 174775989
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
2-(3-pentylphenyl)ethanol
CID 163236984

Frequently Asked Questions

What is the IUPAC name of 1,3-dipentylbenzene;fluorobenzene?
The IUPAC name of 1,3-dipentylbenzene;fluorobenzene (CID 174957175) is 1,3-dipentylbenzene;fluorobenzene.
What is the SMILES notation for 1,3-dipentylbenzene;fluorobenzene?
The canonical SMILES for 1,3-dipentylbenzene;fluorobenzene is CCCCCc1cccc(CCCCC)c1.Fc1ccccc1.
What is the InChIKey of 1,3-dipentylbenzene;fluorobenzene?
The InChIKey is SKNJJKVTGNAWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26.C6H5F/c1-3-5-7-10-15-12-9-13-16(14-15)11-8-6-4-2;7-6-4-2-1-3-5-6/h9,12-14H,3-8,10-11H2,1-2H3;1-5H.
What are the key properties of 1,3-dipentylbenzene;fluorobenzene?
1,3-dipentylbenzene;fluorobenzene has a molecular weight of 314.49 g/mol, XLogP of 6.98, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipentylbenzene;fluorobenzene is sourced from PubChem (CID 174957175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).