3-(2-fluorocyclohexyl)-2-methylpropanoic acid

C10H17FO2 — CID 84732893

IUPAC3-(2-fluorocyclohexyl)-2-methylpropanoic acid
SMILESCC(CC1CCCCC1F)C(=O)O
InChIInChI=1S/C10H17FO2/c1-7(10(12)13)6-8-4-2-3-5-9(8)11/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyFCPALCJCINKEQE-UHFFFAOYSA-N
MW188.24 g/mol
LogP2.63
Rot. Bonds3

About 3-(2-fluorocyclohexyl)-2-methylpropanoic acid

3-(2-fluorocyclohexyl)-2-methylpropanoic acid (PubChem CID 84732893) has the molecular formula C10H17FO2 and a molecular weight of 188.24 g/mol. Its IUPAC name is 3-(2-fluorocyclohexyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-fluorocyclohexyl)-2-methylpropanoic acid
PubChem CID84732893
Molecular FormulaC10H17FO2
Molecular Weight188.24 g/mol
Exact Mass188.12
IUPAC Name3-(2-fluorocyclohexyl)-2-methylpropanoic acid
SMILESCC(CC1CCCCC1F)C(=O)O
InChIInChI=1S/C10H17FO2/c1-7(10(12)13)6-8-4-2-3-5-9(8)11/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyFCPALCJCINKEQE-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 3-(2-fluorocyclohexyl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-fluorocyclohexyl)-2-methylpropanoic acid (CID 84732893) is 3-(2-fluorocyclohexyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-fluorocyclohexyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-fluorocyclohexyl)-2-methylpropanoic acid is CC(CC1CCCCC1F)C(=O)O.
What is the InChIKey of 3-(2-fluorocyclohexyl)-2-methylpropanoic acid?
The InChIKey is FCPALCJCINKEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO2/c1-7(10(12)13)6-8-4-2-3-5-9(8)11/h7-9H,2-6H2,1H3,(H,12,13).
What are the key properties of 3-(2-fluorocyclohexyl)-2-methylpropanoic acid?
3-(2-fluorocyclohexyl)-2-methylpropanoic 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 3-(2-fluorocyclohexyl)-2-methylpropanoic acid is sourced from PubChem (CID 84732893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).