1-(2-fluoroethyl)-4-propoxycyclohexane

C11H21FO — CID 18343982

IUPAC1-(2-fluoroethyl)-4-propoxycyclohexane
SMILESCCCOC1CCC(CCF)CC1
InChIInChI=1S/C11H21FO/c1-2-9-13-11-5-3-10(4-6-11)7-8-12/h10-11H,2-9H2,1H3
InChIKeyMLZLJDOLPBANCI-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.33
Rot. Bonds5

About 1-(2-fluoroethyl)-4-propoxycyclohexane

1-(2-fluoroethyl)-4-propoxycyclohexane (PubChem CID 18343982) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-propoxycyclohexane.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-propoxycyclohexane
PubChem CID18343982
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name1-(2-fluoroethyl)-4-propoxycyclohexane
SMILESCCCOC1CCC(CCF)CC1
InChIInChI=1S/C11H21FO/c1-2-9-13-11-5-3-10(4-6-11)7-8-12/h10-11H,2-9H2,1H3
InChIKeyMLZLJDOLPBANCI-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-propoxycyclohexane?
The IUPAC name of 1-(2-fluoroethyl)-4-propoxycyclohexane (CID 18343982) is 1-(2-fluoroethyl)-4-propoxycyclohexane.
What is the SMILES notation for 1-(2-fluoroethyl)-4-propoxycyclohexane?
The canonical SMILES for 1-(2-fluoroethyl)-4-propoxycyclohexane is CCCOC1CCC(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-propoxycyclohexane?
The InChIKey is MLZLJDOLPBANCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO/c1-2-9-13-11-5-3-10(4-6-11)7-8-12/h10-11H,2-9H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-propoxycyclohexane?
1-(2-fluoroethyl)-4-propoxycyclohexane has a molecular weight of 188.29 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-propoxycyclohexane is sourced from PubChem (CID 18343982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).