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

C11H18F3IO — CID 114773913

IUPAC4-ethyl-1-(iodomethyl)-1-(2,2,2-trifluoroethoxy)cyclohexane
SMILESCCC1CCC(CI)(OCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3IO/c1-2-9-3-5-10(7-15,6-4-9)16-8-11(12,13)14/h9H,2-8H2,1H3
InChIKeyVHGMOPXIKPRYPT-UHFFFAOYSA-N
MW350.16 g/mol
LogP4.34
Rot. Bonds4

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

4-ethyl-1-(iodomethyl)-1-(2,2,2-trifluoroethoxy)cyclohexane (PubChem CID 114773913) has the molecular formula C11H18F3IO and a molecular weight of 350.16 g/mol. Its IUPAC name is 4-ethyl-1-(iodomethyl)-1-(2,2,2-trifluoroethoxy)cyclohexane.

Molecular Properties

Compound Name4-ethyl-1-(iodomethyl)-1-(2,2,2-trifluoroethoxy)cyclohexane
PubChem CID114773913
Molecular FormulaC11H18F3IO
Molecular Weight350.16 g/mol
Exact Mass350.04
IUPAC Name4-ethyl-1-(iodomethyl)-1-(2,2,2-trifluoroethoxy)cyclohexane
SMILESCCC1CCC(CI)(OCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3IO/c1-2-9-3-5-10(7-15,6-4-9)16-8-11(12,13)14/h9H,2-8H2,1H3
InChIKeyVHGMOPXIKPRYPT-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 54.34
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

1-(1,1-Difluoro-5-iodooctoxy)-2,3-difluoro-4-methylcyclohexane
CID 117792615
2,3-Difluoro-1-(5-iodooctoxy)-4-methylcyclohexane
CID 117792616
2,3-Difluoro-1-(4-iodoheptyl)-4-methoxycyclohexane
CID 118103254
1-Ethoxy-4,4-difluoro-1-propan-2-ylcyclohexane
CID 122577384
4-Ethyl-1-methoxy-1-(trifluoromethyl)cyclohexane
CID 124189149
3,4-Difluoro-8-methyl-1-oxaspiro[4.5]decane
CID 167064627
1-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane
CID 102722910
1-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-1-(iodomethyl)-4-propylcyclohexane
CID 102722938
4-Ethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(iodomethyl)cyclohexane
CID 102722951
1-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-1-(iodomethyl)-4-methylcyclohexane
CID 102722963
4-Tert-butyl-1-(iodomethyl)-1-(2,2,2-trifluoroethoxy)cyclohexane
CID 113631796
1-(Iodomethyl)-4-propyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexane
CID 113631886

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(iodomethyl)-1-(2,2,2-trifluoroethoxy)cyclohexane?
The IUPAC name of 4-ethyl-1-(iodomethyl)-1-(2,2,2-trifluoroethoxy)cyclohexane (CID 114773913) is 4-ethyl-1-(iodomethyl)-1-(2,2,2-trifluoroethoxy)cyclohexane.
What is the SMILES notation for 4-ethyl-1-(iodomethyl)-1-(2,2,2-trifluoroethoxy)cyclohexane?
The canonical SMILES for 4-ethyl-1-(iodomethyl)-1-(2,2,2-trifluoroethoxy)cyclohexane is CCC1CCC(CI)(OCC(F)(F)F)CC1.
What is the InChIKey of 4-ethyl-1-(iodomethyl)-1-(2,2,2-trifluoroethoxy)cyclohexane?
The InChIKey is VHGMOPXIKPRYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3IO/c1-2-9-3-5-10(7-15,6-4-9)16-8-11(12,13)14/h9H,2-8H2,1H3.
What are the key properties of 4-ethyl-1-(iodomethyl)-1-(2,2,2-trifluoroethoxy)cyclohexane?
4-ethyl-1-(iodomethyl)-1-(2,2,2-trifluoroethoxy)cyclohexane has a molecular weight of 350.16 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(iodomethyl)-1-(2,2,2-trifluoroethoxy)cyclohexane is sourced from PubChem (CID 114773913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).