(2S)-2-(4-fluorophenoxy)butanoate

C10H10FO3- — CID 7269182

IUPAC(2S)-2-(4-fluorophenoxy)butanoate
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)[O-]
InChIInChI=1S/C10H11FO3/c1-2-9(10(12)13)14-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H,12,13)/p-1/t9-/m0/s1
InChIKeyIDVASMZXSNTIEL-VIFPVBQESA-M
MW197.19 g/mol
LogP0.73
Rot. Bonds4

About (2S)-2-(4-fluorophenoxy)butanoate

(2S)-2-(4-fluorophenoxy)butanoate (PubChem CID 7269182) has the molecular formula C10H10FO3- and a molecular weight of 197.19 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)butanoate.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)butanoate
PubChem CID7269182
Molecular FormulaC10H10FO3-
Molecular Weight197.19 g/mol
Exact Mass197.06
IUPAC Name(2S)-2-(4-fluorophenoxy)butanoate
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)[O-]
InChIInChI=1S/C10H11FO3/c1-2-9(10(12)13)14-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H,12,13)/p-1/t9-/m0/s1
InChIKeyIDVASMZXSNTIEL-VIFPVBQESA-M
XLogP0.73
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methoxyphenoxy)butanoate
CID 7269180
(2R)-2-(4-fluorophenoxy)butanoyl chloride
CID 51980396
(2S)-N,N-diethyl-2-(4-fluorophenoxy)butanamide
CID 94016182
(2S)-2-(4-nitrophenoxy)butanoate
CID 7858570
(2R)-2-(4-fluorophenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569000
2-(3,5-dihydroxyphenoxy)butanoate
CID 18940228
(2R)-2-(3-methoxyphenoxy)butanoate
CID 7022552
1-fluoro-4-(4-methylideneheptan-3-yloxy)benzene
CID 58566328
(2S)-3-(dimethylamino)-2-(4-fluorophenoxy)propanoic acid
CID 7453420
(2R)-N-cyclohexyl-2-(4-fluorophenoxy)butanamide
CID 28569448
(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99131421
2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide
CID 53285318

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)butanoate?
The IUPAC name of (2S)-2-(4-fluorophenoxy)butanoate (CID 7269182) is (2S)-2-(4-fluorophenoxy)butanoate.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)butanoate?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)butanoate is CC[C@H](Oc1ccc(F)cc1)C(=O)[O-].
What is the InChIKey of (2S)-2-(4-fluorophenoxy)butanoate?
The InChIKey is IDVASMZXSNTIEL-VIFPVBQESA-M. The full InChI is InChI=1S/C10H11FO3/c1-2-9(10(12)13)14-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H,12,13)/p-1/t9-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)butanoate?
(2S)-2-(4-fluorophenoxy)butanoate has a molecular weight of 197.19 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)butanoate is sourced from PubChem (CID 7269182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).