1-(2-chlorodecyl)-4-fluorobenzene

C16H24ClF — CID 65428544

IUPAC1-(2-chlorodecyl)-4-fluorobenzene
SMILESCCCCCCCCC(Cl)Cc1ccc(F)cc1
InChIInChI=1S/C16H24ClF/c1-2-3-4-5-6-7-8-15(17)13-14-9-11-16(18)12-10-14/h9-12,15H,2-8,13H2,1H3
InChIKeyHINOQYZYPMNJCD-UHFFFAOYSA-N
MW270.82 g/mol
LogP5.73
Rot. Bonds9

About 1-(2-chlorodecyl)-4-fluorobenzene

1-(2-chlorodecyl)-4-fluorobenzene (PubChem CID 65428544) has the molecular formula C16H24ClF and a molecular weight of 270.82 g/mol. Its IUPAC name is 1-(2-chlorodecyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(2-chlorodecyl)-4-fluorobenzene
PubChem CID65428544
Molecular FormulaC16H24ClF
Molecular Weight270.82 g/mol
Exact Mass270.16
IUPAC Name1-(2-chlorodecyl)-4-fluorobenzene
SMILESCCCCCCCCC(Cl)Cc1ccc(F)cc1
InChIInChI=1S/C16H24ClF/c1-2-3-4-5-6-7-8-15(17)13-14-9-11-16(18)12-10-14/h9-12,15H,2-8,13H2,1H3
InChIKeyHINOQYZYPMNJCD-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.82
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)undecan-2-amine
CID 63412478
1-(4-fluorophenyl)octan-2-amine
CID 62600868
1-(2-chlorooctyl)-4-methoxybenzene
CID 114753869
1-[2-(chloromethyl)octyl]-4-fluorobenzene
CID 66034373
1,2-dichloro-4-(2-chlorononyl)benzene
CID 55223341
1-(2-chloro-4-ethoxybutyl)-4-fluorobenzene
CID 63015899
2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine
CID 63522242
1-(2-chlorohexyl)-3-fluorobenzene
CID 63542141
1-(4-fluorophenyl)-N-propylheptan-2-amine
CID 55187752
1-(2-chlorotridecyl)-2-methylbenzene
CID 65426616
2-[4-(2-chloroheptyl)anilino]acetic acid
CID 70479600
1-chloro-3-(2-chloroheptyl)benzene
CID 63544270

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorodecyl)-4-fluorobenzene?
The IUPAC name of 1-(2-chlorodecyl)-4-fluorobenzene (CID 65428544) is 1-(2-chlorodecyl)-4-fluorobenzene.
What is the SMILES notation for 1-(2-chlorodecyl)-4-fluorobenzene?
The canonical SMILES for 1-(2-chlorodecyl)-4-fluorobenzene is CCCCCCCCC(Cl)Cc1ccc(F)cc1.
What is the InChIKey of 1-(2-chlorodecyl)-4-fluorobenzene?
The InChIKey is HINOQYZYPMNJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClF/c1-2-3-4-5-6-7-8-15(17)13-14-9-11-16(18)12-10-14/h9-12,15H,2-8,13H2,1H3.
What are the key properties of 1-(2-chlorodecyl)-4-fluorobenzene?
1-(2-chlorodecyl)-4-fluorobenzene has a molecular weight of 270.82 g/mol, XLogP of 5.73, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorodecyl)-4-fluorobenzene is sourced from PubChem (CID 65428544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).