1-(2-fluoroethoxy)-4-methylcyclohexane

C9H17FO — CID 167021562

IUPAC1-(2-fluoroethoxy)-4-methylcyclohexane
SMILESCC1CCC(OCCF)CC1
InChIInChI=1S/C9H17FO/c1-8-2-4-9(5-3-8)11-7-6-10/h8-9H,2-7H2,1H3
InChIKeyYVFUDEISXWHWJU-UHFFFAOYSA-N
MW160.23 g/mol
LogP2.55
Rot. Bonds3

About 1-(2-fluoroethoxy)-4-methylcyclohexane

1-(2-fluoroethoxy)-4-methylcyclohexane (PubChem CID 167021562) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is 1-(2-fluoroethoxy)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(2-fluoroethoxy)-4-methylcyclohexane
PubChem CID167021562
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name1-(2-fluoroethoxy)-4-methylcyclohexane
SMILESCC1CCC(OCCF)CC1
InChIInChI=1S/C9H17FO/c1-8-2-4-9(5-3-8)11-7-6-10/h8-9H,2-7H2,1H3
InChIKeyYVFUDEISXWHWJU-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethoxy)-4-methylcyclohexane?
The IUPAC name of 1-(2-fluoroethoxy)-4-methylcyclohexane (CID 167021562) is 1-(2-fluoroethoxy)-4-methylcyclohexane.
What is the SMILES notation for 1-(2-fluoroethoxy)-4-methylcyclohexane?
The canonical SMILES for 1-(2-fluoroethoxy)-4-methylcyclohexane is CC1CCC(OCCF)CC1.
What is the InChIKey of 1-(2-fluoroethoxy)-4-methylcyclohexane?
The InChIKey is YVFUDEISXWHWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO/c1-8-2-4-9(5-3-8)11-7-6-10/h8-9H,2-7H2,1H3.
What are the key properties of 1-(2-fluoroethoxy)-4-methylcyclohexane?
1-(2-fluoroethoxy)-4-methylcyclohexane has a molecular weight of 160.23 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxy)-4-methylcyclohexane is sourced from PubChem (CID 167021562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).