2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene

C15H20ClFO — CID 114191447

IUPAC2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene
SMILESFc1ccc(OCCC2CCCCC2)c(CCl)c1
InChIInChI=1S/C15H20ClFO/c16-11-13-10-14(17)6-7-15(13)18-9-8-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,11H2
InChIKeyDKUUMWKJVFXXIN-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.91
Rot. Bonds5

About 2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene

2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene (PubChem CID 114191447) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene
PubChem CID114191447
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene
SMILESFc1ccc(OCCC2CCCCC2)c(CCl)c1
InChIInChI=1S/C15H20ClFO/c16-11-13-10-14(17)6-7-15(13)18-9-8-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,11H2
InChIKeyDKUUMWKJVFXXIN-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-1-(cyclohexylmethoxy)-4-fluorobenzene
CID 107698926
[2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine
CID 106199490
2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene
CID 114191425
1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene
CID 114191426
2-(chloromethyl)-4-fluoro-1-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 107698784
2-(2-cyclobutylethoxy)-5-fluorobenzonitrile
CID 106201555
[2-(cyclohexylmethoxy)-5-fluorophenyl]methanol
CID 107698568
[4-(2-cyclohexylethoxy)-3-fluorophenyl]methanol
CID 114191393
4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene
CID 28981481
7-(2-cyclohexylethoxy)-5-fluoro-1H-indole
CID 175867004
1,4-dichloro-2-(2-cyclohexylethoxy)benzene
CID 114193047
3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride
CID 56830076

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene?
The IUPAC name of 2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene (CID 114191447) is 2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene.
What is the SMILES notation for 2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene?
The canonical SMILES for 2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene is Fc1ccc(OCCC2CCCCC2)c(CCl)c1.
What is the InChIKey of 2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene?
The InChIKey is DKUUMWKJVFXXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c16-11-13-10-14(17)6-7-15(13)18-9-8-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,11H2.
What are the key properties of 2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene?
2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene has a molecular weight of 270.77 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene is sourced from PubChem (CID 114191447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).