1-(2,2-difluoroethoxy)-4-ethyl-1-(iodomethyl)cyclohexane

C11H19F2IO — CID 114774758

IUPAC1-(2,2-difluoroethoxy)-4-ethyl-1-(iodomethyl)cyclohexane
SMILESCCC1CCC(CI)(OCC(F)F)CC1
InChIInChI=1S/C11H19F2IO/c1-2-9-3-5-11(8-14,6-4-9)15-7-10(12)13/h9-10H,2-8H2,1H3
InChIKeyRHCYVOWQAHGYHJ-UHFFFAOYSA-N
MW332.17 g/mol
LogP4.04
Rot. Bonds5

About 1-(2,2-difluoroethoxy)-4-ethyl-1-(iodomethyl)cyclohexane

1-(2,2-difluoroethoxy)-4-ethyl-1-(iodomethyl)cyclohexane (PubChem CID 114774758) has the molecular formula C11H19F2IO and a molecular weight of 332.17 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-4-ethyl-1-(iodomethyl)cyclohexane.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-4-ethyl-1-(iodomethyl)cyclohexane
PubChem CID114774758
Molecular FormulaC11H19F2IO
Molecular Weight332.17 g/mol
Exact Mass332.04
IUPAC Name1-(2,2-difluoroethoxy)-4-ethyl-1-(iodomethyl)cyclohexane
SMILESCCC1CCC(CI)(OCC(F)F)CC1
InChIInChI=1S/C11H19F2IO/c1-2-9-3-5-11(8-14,6-4-9)15-7-10(12)13/h9-10H,2-8H2,1H3
InChIKeyRHCYVOWQAHGYHJ-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 54.04
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-4-ethyl-1-(iodomethyl)cyclohexane?
The IUPAC name of 1-(2,2-difluoroethoxy)-4-ethyl-1-(iodomethyl)cyclohexane (CID 114774758) is 1-(2,2-difluoroethoxy)-4-ethyl-1-(iodomethyl)cyclohexane.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-4-ethyl-1-(iodomethyl)cyclohexane?
The canonical SMILES for 1-(2,2-difluoroethoxy)-4-ethyl-1-(iodomethyl)cyclohexane is CCC1CCC(CI)(OCC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethoxy)-4-ethyl-1-(iodomethyl)cyclohexane?
The InChIKey is RHCYVOWQAHGYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2IO/c1-2-9-3-5-11(8-14,6-4-9)15-7-10(12)13/h9-10H,2-8H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxy)-4-ethyl-1-(iodomethyl)cyclohexane?
1-(2,2-difluoroethoxy)-4-ethyl-1-(iodomethyl)cyclohexane has a molecular weight of 332.17 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-4-ethyl-1-(iodomethyl)cyclohexane is sourced from PubChem (CID 114774758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).