difluoromethane;1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane

C13H23F3O2 — CID 91461471

IUPACdifluoromethane;1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane
SMILESC=COCC1CCC(COCCF)CC1.FCF
InChIInChI=1S/C12H21FO2.CH2F2/c1-2-14-9-11-3-5-12(6-4-11)10-15-8-7-13;2-1-3/h2,11-12H,1,3-10H2;1H2
InChIKeyLWQZGKNPVJBYFP-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.82
Rot. Bonds7

About difluoromethane;1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane

difluoromethane;1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane (PubChem CID 91461471) has the molecular formula C13H23F3O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is difluoromethane;1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane.

Molecular Properties

Compound Namedifluoromethane;1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane
PubChem CID91461471
Molecular FormulaC13H23F3O2
Molecular Weight268.32 g/mol
Exact Mass268.17
IUPAC Namedifluoromethane;1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane
SMILESC=COCC1CCC(COCCF)CC1.FCF
InChIInChI=1S/C12H21FO2.CH2F2/c1-2-14-9-11-3-5-12(6-4-11)10-15-8-7-13;2-1-3/h2,11-12H,1,3-10H2;1H2
InChIKeyLWQZGKNPVJBYFP-UHFFFAOYSA-N
XLogP3.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexane, 1,4-bis[(ethenyloxy)methyl]-
CID 3437285
1-[Ethoxy(difluoro)methyl]-4-methylcyclohexane
CID 11805558
1-[2-(4-Ethenoxybutoxy)-1,1,2,2-tetrafluoroethyl]-4-(2,2,2-trifluoroethyl)cyclohexane
CID 12010749
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-(fluoromethoxymethyl)cyclohexane
CID 20593743
[4-(Ethenoxymethyl)cyclohexyl]methyl hypofluorite
CID 20688046
1-(Ethenoxymethyl)-4-(3,3,3-trifluoropropoxymethyl)cyclohexane
CID 20697784
1-(Ethenoxymethyl)-4-[[8-[[4-(ethenoxymethyl)cyclohexyl]methoxy]-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctoxy]methyl]cyclohexane
CID 20730496
1-(Ethenoxymethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane
CID 20730497
2-Chloro-1,1,2-trifluoro-1-{[4-(vinyloxymethyl)cyclohexyl]methoxy}propane
CID 22715202
1-(2-Ethenoxyethyl)-4-(1,1,2,3,3,3-hexafluoropropoxymethyl)cyclohexane
CID 53784864

Frequently Asked Questions

What is the IUPAC name of difluoromethane;1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane?
The IUPAC name of difluoromethane;1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane (CID 91461471) is difluoromethane;1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane.
What is the SMILES notation for difluoromethane;1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane?
The canonical SMILES for difluoromethane;1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane is C=COCC1CCC(COCCF)CC1.FCF.
What is the InChIKey of difluoromethane;1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane?
The InChIKey is LWQZGKNPVJBYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FO2.CH2F2/c1-2-14-9-11-3-5-12(6-4-11)10-15-8-7-13;2-1-3/h2,11-12H,1,3-10H2;1H2.
What are the key properties of difluoromethane;1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane?
difluoromethane;1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane has a molecular weight of 268.32 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;1-(ethenoxymethyl)-4-(2-fluoroethoxymethyl)cyclohexane is sourced from PubChem (CID 91461471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).