1-(2-fluoroethyl)-4-(methoxymethyl)cyclohexane

C10H19FO — CID 18343976

IUPAC1-(2-fluoroethyl)-4-(methoxymethyl)cyclohexane
SMILESCOCC1CCC(CCF)CC1
InChIInChI=1S/C10H19FO/c1-12-8-10-4-2-9(3-5-10)6-7-11/h9-10H,2-8H2,1H3
InChIKeyHOCUDJKGFOAZBE-UHFFFAOYSA-N
MW174.26 g/mol
LogP2.80
Rot. Bonds4

About 1-(2-fluoroethyl)-4-(methoxymethyl)cyclohexane

1-(2-fluoroethyl)-4-(methoxymethyl)cyclohexane (PubChem CID 18343976) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-(methoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-(methoxymethyl)cyclohexane
PubChem CID18343976
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name1-(2-fluoroethyl)-4-(methoxymethyl)cyclohexane
SMILESCOCC1CCC(CCF)CC1
InChIInChI=1S/C10H19FO/c1-12-8-10-4-2-9(3-5-10)6-7-11/h9-10H,2-8H2,1H3
InChIKeyHOCUDJKGFOAZBE-UHFFFAOYSA-N
XLogP2.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.80
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-(methoxymethyl)cyclohexane?
The IUPAC name of 1-(2-fluoroethyl)-4-(methoxymethyl)cyclohexane (CID 18343976) is 1-(2-fluoroethyl)-4-(methoxymethyl)cyclohexane.
What is the SMILES notation for 1-(2-fluoroethyl)-4-(methoxymethyl)cyclohexane?
The canonical SMILES for 1-(2-fluoroethyl)-4-(methoxymethyl)cyclohexane is COCC1CCC(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-(methoxymethyl)cyclohexane?
The InChIKey is HOCUDJKGFOAZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO/c1-12-8-10-4-2-9(3-5-10)6-7-11/h9-10H,2-8H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-(methoxymethyl)cyclohexane?
1-(2-fluoroethyl)-4-(methoxymethyl)cyclohexane has a molecular weight of 174.26 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-(methoxymethyl)cyclohexane is sourced from PubChem (CID 18343976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).