1-[[4-(1-fluoroethoxy)cyclohexyl]methoxy]ethanol

C11H21FO3 — CID 71103060

IUPAC1-[[4-(1-fluoroethoxy)cyclohexyl]methoxy]ethanol
SMILESCC(O)OCC1CCC(OC(C)F)CC1
InChIInChI=1S/C11H21FO3/c1-8(12)15-11-5-3-10(4-6-11)7-14-9(2)13/h8-11,13H,3-7H2,1-2H3
InChIKeyKQFCYOVSKVGPIJ-UHFFFAOYSA-N
MW220.28 g/mol
LogP2.23
Rot. Bonds5

About 1-[[4-(1-fluoroethoxy)cyclohexyl]methoxy]ethanol

1-[[4-(1-fluoroethoxy)cyclohexyl]methoxy]ethanol (PubChem CID 71103060) has the molecular formula C11H21FO3 and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-[[4-(1-fluoroethoxy)cyclohexyl]methoxy]ethanol.

Molecular Properties

Compound Name1-[[4-(1-fluoroethoxy)cyclohexyl]methoxy]ethanol
PubChem CID71103060
Molecular FormulaC11H21FO3
Molecular Weight220.28 g/mol
Exact Mass220.15
IUPAC Name1-[[4-(1-fluoroethoxy)cyclohexyl]methoxy]ethanol
SMILESCC(O)OCC1CCC(OC(C)F)CC1
InChIInChI=1S/C11H21FO3/c1-8(12)15-11-5-3-10(4-6-11)7-14-9(2)13/h8-11,13H,3-7H2,1-2H3
InChIKeyKQFCYOVSKVGPIJ-UHFFFAOYSA-N
XLogP2.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-fluoroethoxy)cyclohexyl]methoxy]ethanol?
The IUPAC name of 1-[[4-(1-fluoroethoxy)cyclohexyl]methoxy]ethanol (CID 71103060) is 1-[[4-(1-fluoroethoxy)cyclohexyl]methoxy]ethanol.
What is the SMILES notation for 1-[[4-(1-fluoroethoxy)cyclohexyl]methoxy]ethanol?
The canonical SMILES for 1-[[4-(1-fluoroethoxy)cyclohexyl]methoxy]ethanol is CC(O)OCC1CCC(OC(C)F)CC1.
What is the InChIKey of 1-[[4-(1-fluoroethoxy)cyclohexyl]methoxy]ethanol?
The InChIKey is KQFCYOVSKVGPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO3/c1-8(12)15-11-5-3-10(4-6-11)7-14-9(2)13/h8-11,13H,3-7H2,1-2H3.
What are the key properties of 1-[[4-(1-fluoroethoxy)cyclohexyl]methoxy]ethanol?
1-[[4-(1-fluoroethoxy)cyclohexyl]methoxy]ethanol has a molecular weight of 220.28 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-fluoroethoxy)cyclohexyl]methoxy]ethanol is sourced from PubChem (CID 71103060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).