1-[(2-chloro-1,1,2-trifluoropropoxy)methyl]-4-(ethenoxymethyl)cyclohexane

C13H20ClF3O2 — CID 22715202

IUPAC1-[(2-chloro-1,1,2-trifluoropropoxy)methyl]-4-(ethenoxymethyl)cyclohexane
SMILESC=COCC1CCC(COC(F)(F)C(C)(F)Cl)CC1
InChIInChI=1S/C13H20ClF3O2/c1-3-18-8-10-4-6-11(7-5-10)9-19-13(16,17)12(2,14)15/h3,10-11H,1,4-9H2,2H3
InChIKeyLYMXUHROFMSMOD-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.49
Rot. Bonds7

About 1-[(2-chloro-1,1,2-trifluoropropoxy)methyl]-4-(ethenoxymethyl)cyclohexane

1-[(2-chloro-1,1,2-trifluoropropoxy)methyl]-4-(ethenoxymethyl)cyclohexane (PubChem CID 22715202) has the molecular formula C13H20ClF3O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 1-[(2-chloro-1,1,2-trifluoropropoxy)methyl]-4-(ethenoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-[(2-chloro-1,1,2-trifluoropropoxy)methyl]-4-(ethenoxymethyl)cyclohexane
PubChem CID22715202
Molecular FormulaC13H20ClF3O2
Molecular Weight300.75 g/mol
Exact Mass300.11
IUPAC Name1-[(2-chloro-1,1,2-trifluoropropoxy)methyl]-4-(ethenoxymethyl)cyclohexane
SMILESC=COCC1CCC(COC(F)(F)C(C)(F)Cl)CC1
InChIInChI=1S/C13H20ClF3O2/c1-3-18-8-10-4-6-11(7-5-10)9-19-13(16,17)12(2,14)15/h3,10-11H,1,4-9H2,2H3
InChIKeyLYMXUHROFMSMOD-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(2-Chloro-1,1,2-trifluoroethoxy)methyl]-4-(ethenoxymethyl)cyclohexane
CID 12010756
1,1,2,3,3,3-Hexafluoro-1-{[4 (vinyloxymethyl)cyclohexyl]methoxy}propane
CID 18364359
1-(Ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane
CID 20697784
1-(Ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane
CID 20730497
1-(Ethenoxymethyl)-4-(2-fluorochloranuidylethoxymethyl)cyclohexane
CID 20730500
1-(Ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane
CID 59872809
1-[(2-Chloro-2-fluoroethoxy)methyl]-4-(ethenoxymethyl)cyclohexane
CID 60117540
1-(Ethenoxymethyl)-4-(1,1,2,2,3,3-hexafluoropropoxymethyl)cyclohexane
CID 141025340
1-(Ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane;hydrofluoride
CID 160118286
Difluoromethane;1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane
CID 91461471
Ethane;1-(ethenoxymethyl)-4-(fluoromethoxymethyl)cyclohexane
CID 91569292
[4-(Ethenoxymethyl)cyclohexyl]methyl hypofluorite;1-fluoro-2-fluorochloranuidylethane
CID 161838342

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,1,2-trifluoropropoxy)methyl]-4-(ethenoxymethyl)cyclohexane?
The IUPAC name of 1-[(2-chloro-1,1,2-trifluoropropoxy)methyl]-4-(ethenoxymethyl)cyclohexane (CID 22715202) is 1-[(2-chloro-1,1,2-trifluoropropoxy)methyl]-4-(ethenoxymethyl)cyclohexane.
What is the SMILES notation for 1-[(2-chloro-1,1,2-trifluoropropoxy)methyl]-4-(ethenoxymethyl)cyclohexane?
The canonical SMILES for 1-[(2-chloro-1,1,2-trifluoropropoxy)methyl]-4-(ethenoxymethyl)cyclohexane is C=COCC1CCC(COC(F)(F)C(C)(F)Cl)CC1.
What is the InChIKey of 1-[(2-chloro-1,1,2-trifluoropropoxy)methyl]-4-(ethenoxymethyl)cyclohexane?
The InChIKey is LYMXUHROFMSMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClF3O2/c1-3-18-8-10-4-6-11(7-5-10)9-19-13(16,17)12(2,14)15/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 1-[(2-chloro-1,1,2-trifluoropropoxy)methyl]-4-(ethenoxymethyl)cyclohexane?
1-[(2-chloro-1,1,2-trifluoropropoxy)methyl]-4-(ethenoxymethyl)cyclohexane has a molecular weight of 300.75 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,1,2-trifluoropropoxy)methyl]-4-(ethenoxymethyl)cyclohexane is sourced from PubChem (CID 22715202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).