methyl 3-(3-fluorophenoxy)propanoate

C10H11FO3 — CID 28889468

IUPACmethyl 3-(3-fluorophenoxy)propanoate
SMILESCOC(=O)CCOc1cccc(F)c1
InChIInChI=1S/C10H11FO3/c1-13-10(12)5-6-14-9-4-2-3-8(11)7-9/h2-4,7H,5-6H2,1H3
InChIKeySNESAKSUDCNAOT-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.77
Rot. Bonds4

About methyl 3-(3-fluorophenoxy)propanoate

methyl 3-(3-fluorophenoxy)propanoate (PubChem CID 28889468) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is methyl 3-(3-fluorophenoxy)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-fluorophenoxy)propanoate
PubChem CID28889468
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Namemethyl 3-(3-fluorophenoxy)propanoate
SMILESCOC(=O)CCOc1cccc(F)c1
InChIInChI=1S/C10H11FO3/c1-13-10(12)5-6-14-9-4-2-3-8(11)7-9/h2-4,7H,5-6H2,1H3
InChIKeySNESAKSUDCNAOT-UHFFFAOYSA-N
XLogP1.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-[(3-fluorophenyl)methoxy]phenoxy]propanoate
CID 69037597
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
3-[3-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989974
6-(3-fluorophenoxy)hexan-3-one
CID 106801939
3-(3-fluorophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43500929
methyl 4-(3-fluorophenoxy)-2-(methylamino)butanoate
CID 63040092
2-[3-(3-fluorophenoxy)propanoylamino]oxyacetic acid
CID 63930757
3-(3-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)propanamide
CID 115746113
butyl 2-(3-fluorophenoxy)acetate
CID 60644291
2-[3-(3-fluorophenoxy)propanoylamino]-3,3-dimethylbutanoic acid
CID 43467510
1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970330

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-fluorophenoxy)propanoate?
The IUPAC name of methyl 3-(3-fluorophenoxy)propanoate (CID 28889468) is methyl 3-(3-fluorophenoxy)propanoate.
What is the SMILES notation for methyl 3-(3-fluorophenoxy)propanoate?
The canonical SMILES for methyl 3-(3-fluorophenoxy)propanoate is COC(=O)CCOc1cccc(F)c1.
What is the InChIKey of methyl 3-(3-fluorophenoxy)propanoate?
The InChIKey is SNESAKSUDCNAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-13-10(12)5-6-14-9-4-2-3-8(11)7-9/h2-4,7H,5-6H2,1H3.
What are the key properties of methyl 3-(3-fluorophenoxy)propanoate?
methyl 3-(3-fluorophenoxy)propanoate has a molecular weight of 198.19 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-fluorophenoxy)propanoate is sourced from PubChem (CID 28889468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).