2-(4-ethylcyclohexyl)-2-fluoroacetic acid

C10H17FO2 — CID 81358265

IUPAC2-(4-ethylcyclohexyl)-2-fluoroacetic acid
SMILESCCC1CCC(C(F)C(=O)O)CC1
InChIInChI=1S/C10H17FO2/c1-2-7-3-5-8(6-4-7)9(11)10(12)13/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyLKOYUWFQIZCOSG-UHFFFAOYSA-N
MW188.24 g/mol
LogP2.63
Rot. Bonds3

About 2-(4-ethylcyclohexyl)-2-fluoroacetic acid

2-(4-ethylcyclohexyl)-2-fluoroacetic acid (PubChem CID 81358265) has the molecular formula C10H17FO2 and a molecular weight of 188.24 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-2-fluoroacetic acid
PubChem CID81358265
Molecular FormulaC10H17FO2
Molecular Weight188.24 g/mol
Exact Mass188.12
IUPAC Name2-(4-ethylcyclohexyl)-2-fluoroacetic acid
SMILESCCC1CCC(C(F)C(=O)O)CC1
InChIInChI=1S/C10H17FO2/c1-2-7-3-5-8(6-4-7)9(11)10(12)13/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyLKOYUWFQIZCOSG-UHFFFAOYSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-2-fluoroacetic acid?
The IUPAC name of 2-(4-ethylcyclohexyl)-2-fluoroacetic acid (CID 81358265) is 2-(4-ethylcyclohexyl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-2-fluoroacetic acid?
The canonical SMILES for 2-(4-ethylcyclohexyl)-2-fluoroacetic acid is CCC1CCC(C(F)C(=O)O)CC1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-2-fluoroacetic acid?
The InChIKey is LKOYUWFQIZCOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO2/c1-2-7-3-5-8(6-4-7)9(11)10(12)13/h7-9H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(4-ethylcyclohexyl)-2-fluoroacetic acid?
2-(4-ethylcyclohexyl)-2-fluoroacetic acid has a molecular weight of 188.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-2-fluoroacetic acid is sourced from PubChem (CID 81358265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).