methyl 4-(2-fluoroethoxy)cyclohexane-1-carboxylate

C10H17FO3 — CID 114450780

IUPACmethyl 4-(2-fluoroethoxy)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OCCF)CC1
InChIInChI=1S/C10H17FO3/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11/h8-9H,2-7H2,1H3
InChIKeyLPXPUHONROAMCW-UHFFFAOYSA-N
MW204.24 g/mol
LogP1.70
Rot. Bonds4

About methyl 4-(2-fluoroethoxy)cyclohexane-1-carboxylate

methyl 4-(2-fluoroethoxy)cyclohexane-1-carboxylate (PubChem CID 114450780) has the molecular formula C10H17FO3 and a molecular weight of 204.24 g/mol. Its IUPAC name is methyl 4-(2-fluoroethoxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-fluoroethoxy)cyclohexane-1-carboxylate
PubChem CID114450780
Molecular FormulaC10H17FO3
Molecular Weight204.24 g/mol
Exact Mass204.12
IUPAC Namemethyl 4-(2-fluoroethoxy)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OCCF)CC1
InChIInChI=1S/C10H17FO3/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11/h8-9H,2-7H2,1H3
InChIKeyLPXPUHONROAMCW-UHFFFAOYSA-N
XLogP1.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-fluoroethoxy)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(2-fluoroethoxy)cyclohexane-1-carboxylate (CID 114450780) is methyl 4-(2-fluoroethoxy)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(2-fluoroethoxy)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(2-fluoroethoxy)cyclohexane-1-carboxylate is COC(=O)C1CCC(OCCF)CC1.
What is the InChIKey of methyl 4-(2-fluoroethoxy)cyclohexane-1-carboxylate?
The InChIKey is LPXPUHONROAMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO3/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11/h8-9H,2-7H2,1H3.
What are the key properties of methyl 4-(2-fluoroethoxy)cyclohexane-1-carboxylate?
methyl 4-(2-fluoroethoxy)cyclohexane-1-carboxylate has a molecular weight of 204.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-fluoroethoxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 114450780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).