(2-ethoxy-1-fluoroethylidene)-[1-[(4-propylcyclohexyl)methoxy]propyl]-λ3-iodane

C17H32FIO2 — CID 144714606

IUPAC(2-ethoxy-1-fluoroethylidene)-[1-[(4-propylcyclohexyl)methoxy]propyl]-λ3-iodane
SMILESCCCC1CCC(COC(CC)/I=C(\F)COCC)CC1
InChIInChI=1S/C17H32FIO2/c1-4-7-14-8-10-15(11-9-14)12-21-17(5-2)19-16(18)13-20-6-3/h14-15,17H,4-13H2,1-3H3
InChIKeyZFAMSRYVVNHODB-UHFFFAOYSA-N
MW414.34 g/mol
LogP5.45
Rot. Bonds10

About (2-ethoxy-1-fluoroethylidene)-[1-[(4-propylcyclohexyl)methoxy]propyl]-λ3-iodane

(2-ethoxy-1-fluoroethylidene)-[1-[(4-propylcyclohexyl)methoxy]propyl]-λ3-iodane (PubChem CID 144714606) has the molecular formula C17H32FIO2 and a molecular weight of 414.34 g/mol. Its IUPAC name is (2-ethoxy-1-fluoroethylidene)-[1-[(4-propylcyclohexyl)methoxy]propyl]-λ3-iodane.

Molecular Properties

Compound Name(2-ethoxy-1-fluoroethylidene)-[1-[(4-propylcyclohexyl)methoxy]propyl]-λ3-iodane
PubChem CID144714606
Molecular FormulaC17H32FIO2
Molecular Weight414.34 g/mol
Exact Mass414.14
IUPAC Name(2-ethoxy-1-fluoroethylidene)-[1-[(4-propylcyclohexyl)methoxy]propyl]-λ3-iodane
SMILESCCCC1CCC(COC(CC)/I=C(\F)COCC)CC1
InChIInChI=1S/C17H32FIO2/c1-4-7-14-8-10-15(11-9-14)12-21-17(5-2)19-16(18)13-20-6-3/h14-15,17H,4-13H2,1-3H3
InChIKeyZFAMSRYVVNHODB-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.34
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(Fluoromethoxy)heptan-4-yl]-4-iodocyclohexane
CID 126683577
1-[1-Ethoxy-2-(ethoxymethyl)-5-fluoro-8-methyl-5-(3-methylbutyl)nonan-2-yl]-4-methylcyclohexane
CID 174162178
1-(6-Methoxyhexoxymethyl)-4-propylcyclohexane
CID 126699392
1-(9-Iodo-5-propyldodecoxy)-4-methylcyclohexane
CID 118103260
1-Iodo-4-(8-octan-4-yloxyoctan-4-yl)cyclohexane
CID 118889188
1-(2-Methylbutoxymethyl)-4-(4-methylhexyl)cyclohexane
CID 144278218
1-(4-Methylpentoxymethyl)-4-(2-methylpropyl)cyclohexane
CID 161594083
1-Heptoxy-1-(iodomethyl)-4-propan-2-ylcyclohexane
CID 113631700
4-Ethyl-1-(iodomethyl)-1-octoxycyclohexane
CID 113631759
1-Heptoxy-1-(iodomethyl)-4-propylcyclohexane
CID 114773214
1-(2-Ethylhexoxy)-1-(iodomethyl)-4-propylcyclohexane
CID 114773354
1-(Iodomethyl)-1-octoxy-4-propylcyclohexane
CID 114773547

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-1-fluoroethylidene)-[1-[(4-propylcyclohexyl)methoxy]propyl]-λ3-iodane?
The IUPAC name of (2-ethoxy-1-fluoroethylidene)-[1-[(4-propylcyclohexyl)methoxy]propyl]-λ3-iodane (CID 144714606) is (2-ethoxy-1-fluoroethylidene)-[1-[(4-propylcyclohexyl)methoxy]propyl]-λ3-iodane.
What is the SMILES notation for (2-ethoxy-1-fluoroethylidene)-[1-[(4-propylcyclohexyl)methoxy]propyl]-λ3-iodane?
The canonical SMILES for (2-ethoxy-1-fluoroethylidene)-[1-[(4-propylcyclohexyl)methoxy]propyl]-λ3-iodane is CCCC1CCC(COC(CC)/I=C(\F)COCC)CC1.
What is the InChIKey of (2-ethoxy-1-fluoroethylidene)-[1-[(4-propylcyclohexyl)methoxy]propyl]-λ3-iodane?
The InChIKey is ZFAMSRYVVNHODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FIO2/c1-4-7-14-8-10-15(11-9-14)12-21-17(5-2)19-16(18)13-20-6-3/h14-15,17H,4-13H2,1-3H3.
What are the key properties of (2-ethoxy-1-fluoroethylidene)-[1-[(4-propylcyclohexyl)methoxy]propyl]-λ3-iodane?
(2-ethoxy-1-fluoroethylidene)-[1-[(4-propylcyclohexyl)methoxy]propyl]-λ3-iodane has a molecular weight of 414.34 g/mol, XLogP of 5.45, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-1-fluoroethylidene)-[1-[(4-propylcyclohexyl)methoxy]propyl]-λ3-iodane is sourced from PubChem (CID 144714606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).