1-(2-chlorohexyl)-3-fluorobenzene

C12H16ClF — CID 63542141

IUPAC1-(2-chlorohexyl)-3-fluorobenzene
SMILESCCCCC(Cl)Cc1cccc(F)c1
InChIInChI=1S/C12H16ClF/c1-2-3-6-11(13)8-10-5-4-7-12(14)9-10/h4-5,7,9,11H,2-3,6,8H2,1H3
InChIKeyNEJIYJFBLGDFLH-UHFFFAOYSA-N
MW214.71 g/mol
LogP4.17
Rot. Bonds5

About 1-(2-chlorohexyl)-3-fluorobenzene

1-(2-chlorohexyl)-3-fluorobenzene (PubChem CID 63542141) has the molecular formula C12H16ClF and a molecular weight of 214.71 g/mol. Its IUPAC name is 1-(2-chlorohexyl)-3-fluorobenzene.

Molecular Properties

Compound Name1-(2-chlorohexyl)-3-fluorobenzene
PubChem CID63542141
Molecular FormulaC12H16ClF
Molecular Weight214.71 g/mol
Exact Mass214.09
IUPAC Name1-(2-chlorohexyl)-3-fluorobenzene
SMILESCCCCC(Cl)Cc1cccc(F)c1
InChIInChI=1S/C12H16ClF/c1-2-3-6-11(13)8-10-5-4-7-12(14)9-10/h4-5,7,9,11H,2-3,6,8H2,1H3
InChIKeyNEJIYJFBLGDFLH-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.71
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(2-chloroheptyl)benzene
CID 63544270
1-(3-fluorophenyl)nonan-2-amine
CID 63417129
1-[2-(chloromethyl)dodecyl]-3-fluorobenzene
CID 66050539
3-ethyl-1-(3-fluorophenyl)heptan-2-ol
CID 63017524
1-[2-(chloromethyl)-4-ethyloctyl]-3-fluorobenzene
CID 66047696
1-[3-chloro-4-(3-fluorophenyl)butyl]-2-methylbenzene
CID 63542842
1-[2-(chloromethyl)pentyl]-3-fluorobenzene
CID 66034090
N-ethyl-1-(3-fluorophenyl)-3-methylheptan-2-amine
CID 114246287
1-(2-chlorodecyl)-4-fluorobenzene
CID 65428544
(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255
2-[(3-fluorophenyl)methyl]octan-1-amine
CID 62529193
1-(3-fluorophenyl)-N-methylundecan-2-amine
CID 63417215

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorohexyl)-3-fluorobenzene?
The IUPAC name of 1-(2-chlorohexyl)-3-fluorobenzene (CID 63542141) is 1-(2-chlorohexyl)-3-fluorobenzene.
What is the SMILES notation for 1-(2-chlorohexyl)-3-fluorobenzene?
The canonical SMILES for 1-(2-chlorohexyl)-3-fluorobenzene is CCCCC(Cl)Cc1cccc(F)c1.
What is the InChIKey of 1-(2-chlorohexyl)-3-fluorobenzene?
The InChIKey is NEJIYJFBLGDFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF/c1-2-3-6-11(13)8-10-5-4-7-12(14)9-10/h4-5,7,9,11H,2-3,6,8H2,1H3.
What are the key properties of 1-(2-chlorohexyl)-3-fluorobenzene?
1-(2-chlorohexyl)-3-fluorobenzene has a molecular weight of 214.71 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorohexyl)-3-fluorobenzene is sourced from PubChem (CID 63542141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).