1-fluoro-4-[2-iodo-1-(3-methylcyclohexyl)oxyethyl]benzene

C15H20FIO — CID 114773618

IUPAC1-fluoro-4-[2-iodo-1-(3-methylcyclohexyl)oxyethyl]benzene
SMILESCC1CCCC(OC(CI)c2ccc(F)cc2)C1
InChIInChI=1S/C15H20FIO/c1-11-3-2-4-14(9-11)18-15(10-17)12-5-7-13(16)8-6-12/h5-8,11,14-15H,2-4,9-10H2,1H3
InChIKeyUBQODOSGHGQZBO-UHFFFAOYSA-N
MW362.23 g/mol
LogP4.90
Rot. Bonds4

About 1-fluoro-4-[2-iodo-1-(3-methylcyclohexyl)oxyethyl]benzene

1-fluoro-4-[2-iodo-1-(3-methylcyclohexyl)oxyethyl]benzene (PubChem CID 114773618) has the molecular formula C15H20FIO and a molecular weight of 362.23 g/mol. Its IUPAC name is 1-fluoro-4-[2-iodo-1-(3-methylcyclohexyl)oxyethyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-iodo-1-(3-methylcyclohexyl)oxyethyl]benzene
PubChem CID114773618
Molecular FormulaC15H20FIO
Molecular Weight362.23 g/mol
Exact Mass362.05
IUPAC Name1-fluoro-4-[2-iodo-1-(3-methylcyclohexyl)oxyethyl]benzene
SMILESCC1CCCC(OC(CI)c2ccc(F)cc2)C1
InChIInChI=1S/C15H20FIO/c1-11-3-2-4-14(9-11)18-15(10-17)12-5-7-13(16)8-6-12/h5-8,11,14-15H,2-4,9-10H2,1H3
InChIKeyUBQODOSGHGQZBO-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'}

Analyze 1-fluoro-4-[2-iodo-1-(3-methylcyclohexyl)oxyethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-iodo-1-(3-methylcyclohexyl)oxyethyl]benzene?
The IUPAC name of 1-fluoro-4-[2-iodo-1-(3-methylcyclohexyl)oxyethyl]benzene (CID 114773618) is 1-fluoro-4-[2-iodo-1-(3-methylcyclohexyl)oxyethyl]benzene.
What is the SMILES notation for 1-fluoro-4-[2-iodo-1-(3-methylcyclohexyl)oxyethyl]benzene?
The canonical SMILES for 1-fluoro-4-[2-iodo-1-(3-methylcyclohexyl)oxyethyl]benzene is CC1CCCC(OC(CI)c2ccc(F)cc2)C1.
What is the InChIKey of 1-fluoro-4-[2-iodo-1-(3-methylcyclohexyl)oxyethyl]benzene?
The InChIKey is UBQODOSGHGQZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FIO/c1-11-3-2-4-14(9-11)18-15(10-17)12-5-7-13(16)8-6-12/h5-8,11,14-15H,2-4,9-10H2,1H3.
What are the key properties of 1-fluoro-4-[2-iodo-1-(3-methylcyclohexyl)oxyethyl]benzene?
1-fluoro-4-[2-iodo-1-(3-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-4-[2-iodo-1-(3-methylcyclohexyl)oxyethyl]benzene is sourced from PubChem (CID 114773618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).