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

C10H17FO2 — CID 84732891

IUPAC2-(3-fluorocyclohexyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCC(F)C1
InChIInChI=1S/C10H17FO2/c1-10(2,9(12)13)7-4-3-5-8(11)6-7/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyPPALOUPLZOTMBI-UHFFFAOYSA-N
MW188.24 g/mol
LogP2.63
Rot. Bonds2

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

2-(3-fluorocyclohexyl)-2-methylpropanoic acid (PubChem CID 84732891) has the molecular formula C10H17FO2 and a molecular weight of 188.24 g/mol. Its IUPAC name is 2-(3-fluorocyclohexyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-fluorocyclohexyl)-2-methylpropanoic acid
PubChem CID84732891
Molecular FormulaC10H17FO2
Molecular Weight188.24 g/mol
Exact Mass188.12
IUPAC Name2-(3-fluorocyclohexyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCC(F)C1
InChIInChI=1S/C10H17FO2/c1-10(2,9(12)13)7-4-3-5-8(11)6-7/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyPPALOUPLZOTMBI-UHFFFAOYSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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-(3-fluorocyclohexyl)-2-methylpropanoic acid?
The IUPAC name of 2-(3-fluorocyclohexyl)-2-methylpropanoic acid (CID 84732891) is 2-(3-fluorocyclohexyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-fluorocyclohexyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-fluorocyclohexyl)-2-methylpropanoic acid is CC(C)(C(=O)O)C1CCCC(F)C1.
What is the InChIKey of 2-(3-fluorocyclohexyl)-2-methylpropanoic acid?
The InChIKey is PPALOUPLZOTMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO2/c1-10(2,9(12)13)7-4-3-5-8(11)6-7/h7-8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-fluorocyclohexyl)-2-methylpropanoic acid?
2-(3-fluorocyclohexyl)-2-methylpropanoic acid has a molecular weight of 188.24 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorocyclohexyl)-2-methylpropanoic acid is sourced from PubChem (CID 84732891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).