2-fluoro-2-(3-methoxycyclohexyl)acetic acid

C9H15FO3 — CID 106873222

IUPAC2-fluoro-2-(3-methoxycyclohexyl)acetic acid
SMILESCOC1CCCC(C(F)C(=O)O)C1
InChIInChI=1S/C9H15FO3/c1-13-7-4-2-3-6(5-7)8(10)9(11)12/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyATOMARGTXUARMP-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.61
Rot. Bonds3

About 2-fluoro-2-(3-methoxycyclohexyl)acetic acid

2-fluoro-2-(3-methoxycyclohexyl)acetic acid (PubChem CID 106873222) has the molecular formula C9H15FO3 and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-fluoro-2-(3-methoxycyclohexyl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(3-methoxycyclohexyl)acetic acid
PubChem CID106873222
Molecular FormulaC9H15FO3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name2-fluoro-2-(3-methoxycyclohexyl)acetic acid
SMILESCOC1CCCC(C(F)C(=O)O)C1
InChIInChI=1S/C9H15FO3/c1-13-7-4-2-3-6(5-7)8(10)9(11)12/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyATOMARGTXUARMP-UHFFFAOYSA-N
XLogP1.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(3-methoxycyclohexyl)acetic acid?
The IUPAC name of 2-fluoro-2-(3-methoxycyclohexyl)acetic acid (CID 106873222) is 2-fluoro-2-(3-methoxycyclohexyl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(3-methoxycyclohexyl)acetic acid?
The canonical SMILES for 2-fluoro-2-(3-methoxycyclohexyl)acetic acid is COC1CCCC(C(F)C(=O)O)C1.
What is the InChIKey of 2-fluoro-2-(3-methoxycyclohexyl)acetic acid?
The InChIKey is ATOMARGTXUARMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO3/c1-13-7-4-2-3-6(5-7)8(10)9(11)12/h6-8H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-fluoro-2-(3-methoxycyclohexyl)acetic acid?
2-fluoro-2-(3-methoxycyclohexyl)acetic acid has a molecular weight of 190.21 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-methoxycyclohexyl)acetic acid is sourced from PubChem (CID 106873222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).