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

C10H17FO3 — CID 167102900

IUPACmethyl 4-(1-fluoroethoxy)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OC(C)F)CC1
InChIInChI=1S/C10H17FO3/c1-7(11)14-9-5-3-8(4-6-9)10(12)13-2/h7-9H,3-6H2,1-2H3
InChIKeyFSSJSDDZRYQQPS-UHFFFAOYSA-N
MW204.24 g/mol
LogP2.05
Rot. Bonds3

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

methyl 4-(1-fluoroethoxy)cyclohexane-1-carboxylate (PubChem CID 167102900) has the molecular formula C10H17FO3 and a molecular weight of 204.24 g/mol. Its IUPAC name is methyl 4-(1-fluoroethoxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-fluoroethoxy)cyclohexane-1-carboxylate
PubChem CID167102900
Molecular FormulaC10H17FO3
Molecular Weight204.24 g/mol
Exact Mass204.12
IUPAC Namemethyl 4-(1-fluoroethoxy)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(OC(C)F)CC1
InChIInChI=1S/C10H17FO3/c1-7(11)14-9-5-3-8(4-6-9)10(12)13-2/h7-9H,3-6H2,1-2H3
InChIKeyFSSJSDDZRYQQPS-UHFFFAOYSA-N
XLogP2.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-fluoroethoxy)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(1-fluoroethoxy)cyclohexane-1-carboxylate (CID 167102900) is methyl 4-(1-fluoroethoxy)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(1-fluoroethoxy)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(1-fluoroethoxy)cyclohexane-1-carboxylate is COC(=O)C1CCC(OC(C)F)CC1.
What is the InChIKey of methyl 4-(1-fluoroethoxy)cyclohexane-1-carboxylate?
The InChIKey is FSSJSDDZRYQQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO3/c1-7(11)14-9-5-3-8(4-6-9)10(12)13-2/h7-9H,3-6H2,1-2H3.
What are the key properties of methyl 4-(1-fluoroethoxy)cyclohexane-1-carboxylate?
methyl 4-(1-fluoroethoxy)cyclohexane-1-carboxylate has a molecular weight of 204.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-fluoroethoxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 167102900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).