1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene

C15H20ClFO — CID 112613680

IUPAC1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene
SMILESCCC1CCCCC1Oc1c(F)cccc1CCl
InChIInChI=1S/C15H20ClFO/c1-2-11-6-3-4-9-14(11)18-15-12(10-16)7-5-8-13(15)17/h5,7-8,11,14H,2-4,6,9-10H2,1H3
InChIKeyXKKHSIXESGBYPV-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.91
Rot. Bonds4

About 1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene

1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene (PubChem CID 112613680) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene
PubChem CID112613680
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene
SMILESCCC1CCCCC1Oc1c(F)cccc1CCl
InChIInChI=1S/C15H20ClFO/c1-2-11-6-3-4-9-14(11)18-15-12(10-16)7-5-8-13(15)17/h5,7-8,11,14H,2-4,6,9-10H2,1H3
InChIKeyXKKHSIXESGBYPV-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

N-[[2-(2-ethylcyclohexyl)oxy-3-fluorophenyl]methyl]ethanamine
CID 115953347
2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline
CID 62533930
[3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine
CID 63861212
2-(chloromethyl)-6-(2-ethylcyclohexyl)oxypyridine
CID 63446435
[4-(2-ethylcyclohexyl)oxy-3,5-difluorophenyl]methanamine
CID 79887009
2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 77008777
1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene
CID 82726671
1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine
CID 63862926
5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyrimidine
CID 114215576
5-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-4-methylpyrimidine
CID 83183729
[2-(2-ethylcyclohexyl)oxy-3-pyridinyl]methanol
CID 55151661
5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyridine
CID 81234870

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene?
The IUPAC name of 1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene (CID 112613680) is 1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene.
What is the SMILES notation for 1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene?
The canonical SMILES for 1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene is CCC1CCCCC1Oc1c(F)cccc1CCl.
What is the InChIKey of 1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene?
The InChIKey is XKKHSIXESGBYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c1-2-11-6-3-4-9-14(11)18-15-12(10-16)7-5-8-13(15)17/h5,7-8,11,14H,2-4,6,9-10H2,1H3.
What are the key properties of 1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene?
1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene has a molecular weight of 270.77 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene is sourced from PubChem (CID 112613680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).