1-fluoro-2-[2-iodo-1-(2-methylcyclohexyl)oxyethyl]benzene

C15H20FIO — CID 114772726

IUPAC1-fluoro-2-[2-iodo-1-(2-methylcyclohexyl)oxyethyl]benzene
SMILESCC1CCCCC1OC(CI)c1ccccc1F
InChIInChI=1S/C15H20FIO/c1-11-6-2-5-9-14(11)18-15(10-17)12-7-3-4-8-13(12)16/h3-4,7-8,11,14-15H,2,5-6,9-10H2,1H3
InChIKeyUEVDICVTRRWIEK-UHFFFAOYSA-N
MW362.23 g/mol
LogP4.90
Rot. Bonds4

About 1-fluoro-2-[2-iodo-1-(2-methylcyclohexyl)oxyethyl]benzene

1-fluoro-2-[2-iodo-1-(2-methylcyclohexyl)oxyethyl]benzene (PubChem CID 114772726) has the molecular formula C15H20FIO and a molecular weight of 362.23 g/mol. Its IUPAC name is 1-fluoro-2-[2-iodo-1-(2-methylcyclohexyl)oxyethyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[2-iodo-1-(2-methylcyclohexyl)oxyethyl]benzene
PubChem CID114772726
Molecular FormulaC15H20FIO
Molecular Weight362.23 g/mol
Exact Mass362.05
IUPAC Name1-fluoro-2-[2-iodo-1-(2-methylcyclohexyl)oxyethyl]benzene
SMILESCC1CCCCC1OC(CI)c1ccccc1F
InChIInChI=1S/C15H20FIO/c1-11-6-2-5-9-14(11)18-15(10-17)12-7-3-4-8-13(12)16/h3-4,7-8,11,14-15H,2,5-6,9-10H2,1H3
InChIKeyUEVDICVTRRWIEK-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine
CID 62107035
1-[2-bromo-1-(2-methylcyclohexyl)oxyethyl]-2-chlorobenzene
CID 63468076
2-cyclohexyloxy-2-(2-fluorophenyl)ethanamine
CID 55018547
N-[2-cyclohexyloxy-2-(2-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 62106464
N-[2-(2-methylcyclohexyl)oxy-2-phenylethyl]propan-2-amine
CID 62108282
N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine
CID 62383669
1-chloro-2-(1-cyclopentyloxy-2-iodoethyl)benzene
CID 114772493
1-cyclopentyloxy-1-(2-fluorophenyl)butan-2-amine
CID 55018597
(2-fluorophenyl)-(2-methylcyclopentyl)methanamine
CID 107188100
1-bromo-2-(1-cyclobutyloxy-2-iodoethyl)benzene
CID 114773973
2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine
CID 114058365
(1R)-1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 55183517

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[2-iodo-1-(2-methylcyclohexyl)oxyethyl]benzene?
The IUPAC name of 1-fluoro-2-[2-iodo-1-(2-methylcyclohexyl)oxyethyl]benzene (CID 114772726) is 1-fluoro-2-[2-iodo-1-(2-methylcyclohexyl)oxyethyl]benzene.
What is the SMILES notation for 1-fluoro-2-[2-iodo-1-(2-methylcyclohexyl)oxyethyl]benzene?
The canonical SMILES for 1-fluoro-2-[2-iodo-1-(2-methylcyclohexyl)oxyethyl]benzene is CC1CCCCC1OC(CI)c1ccccc1F.
What is the InChIKey of 1-fluoro-2-[2-iodo-1-(2-methylcyclohexyl)oxyethyl]benzene?
The InChIKey is UEVDICVTRRWIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FIO/c1-11-6-2-5-9-14(11)18-15(10-17)12-7-3-4-8-13(12)16/h3-4,7-8,11,14-15H,2,5-6,9-10H2,1H3.
What are the key properties of 1-fluoro-2-[2-iodo-1-(2-methylcyclohexyl)oxyethyl]benzene?
1-fluoro-2-[2-iodo-1-(2-methylcyclohexyl)oxyethyl]benzene has a molecular weight of 362.23 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[2-iodo-1-(2-methylcyclohexyl)oxyethyl]benzene is sourced from PubChem (CID 114772726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).