2-phenoxypropanoic acid;hydrofluoride

C9H11FO3 — CID 161153787

IUPAC2-phenoxypropanoic acid;hydrofluoride
SMILESCC(Oc1ccccc1)C(=O)O.F
InChIInChI=1S/C9H10O3.FH/c1-7(9(10)11)12-8-5-3-2-4-6-8;/h2-7H,1H3,(H,10,11);1H
InChIKeyGBHHOJGGNNSSRV-UHFFFAOYSA-N
MW186.18 g/mol
LogP1.69
Rot. Bonds3

About 2-phenoxypropanoic acid;hydrofluoride

2-phenoxypropanoic acid;hydrofluoride (PubChem CID 161153787) has the molecular formula C9H11FO3 and a molecular weight of 186.18 g/mol. Its IUPAC name is 2-phenoxypropanoic acid;hydrofluoride.

Molecular Properties

Compound Name2-phenoxypropanoic acid;hydrofluoride
PubChem CID161153787
Molecular FormulaC9H11FO3
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Name2-phenoxypropanoic acid;hydrofluoride
SMILESCC(Oc1ccccc1)C(=O)O.F
InChIInChI=1S/C9H10O3.FH/c1-7(9(10)11)12-8-5-3-2-4-6-8;/h2-7H,1H3,(H,10,11);1H
InChIKeyGBHHOJGGNNSSRV-UHFFFAOYSA-N
XLogP1.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;hydride;2-phenoxypropanoic acid
CID 174562261
potassium;hydride;2-phenoxypropanoic acid
CID 174805355
2-(4-anilinophenoxy)propanoic acid
CID 43519559
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680
2-methylidene-3-phenoxybutanoic acid
CID 21464511
2-pyridin-3-yloxypropanoic acid
CID 22668209
2-phenoxypropanoic acid;11-phenoxyundecanoic acid
CID 67508257
N-methyl-2-phenoxypropanamide
CID 4626974
2-[4-(4-methylphenyl)phenoxy]propanoic acid
CID 16769111

Frequently Asked Questions

What is the IUPAC name of 2-phenoxypropanoic acid;hydrofluoride?
The IUPAC name of 2-phenoxypropanoic acid;hydrofluoride (CID 161153787) is 2-phenoxypropanoic acid;hydrofluoride.
What is the SMILES notation for 2-phenoxypropanoic acid;hydrofluoride?
The canonical SMILES for 2-phenoxypropanoic acid;hydrofluoride is CC(Oc1ccccc1)C(=O)O.F.
What is the InChIKey of 2-phenoxypropanoic acid;hydrofluoride?
The InChIKey is GBHHOJGGNNSSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.FH/c1-7(9(10)11)12-8-5-3-2-4-6-8;/h2-7H,1H3,(H,10,11);1H.
What are the key properties of 2-phenoxypropanoic acid;hydrofluoride?
2-phenoxypropanoic acid;hydrofluoride has a molecular weight of 186.18 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxypropanoic acid;hydrofluoride is sourced from PubChem (CID 161153787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).