ethane;3-(4-fluorophenyl)propanoic acid

C11H15FO2 — CID 142046245

IUPACethane;3-(4-fluorophenyl)propanoic acid
SMILESCC.O=C(O)CCc1ccc(F)cc1
InChIInChI=1S/C9H9FO2.C2H6/c10-8-4-1-7(2-5-8)3-6-9(11)12;1-2/h1-2,4-5H,3,6H2,(H,11,12);1-2H3
InChIKeyHJMVGBPBXNFSCO-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.87
Rot. Bonds3

About ethane;3-(4-fluorophenyl)propanoic acid

ethane;3-(4-fluorophenyl)propanoic acid (PubChem CID 142046245) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is ethane;3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Nameethane;3-(4-fluorophenyl)propanoic acid
PubChem CID142046245
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Nameethane;3-(4-fluorophenyl)propanoic acid
SMILESCC.O=C(O)CCc1ccc(F)cc1
InChIInChI=1S/C9H9FO2.C2H6/c10-8-4-1-7(2-5-8)3-6-9(11)12;1-2/h1-2,4-5H,3,6H2,(H,11,12);1-2H3
InChIKeyHJMVGBPBXNFSCO-UHFFFAOYSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(4-fluorophenyl)hexanoic acid
CID 14739735
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280
butane;ethane;3-(4-methylphenyl)propanoic acid
CID 143489809
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
4-[3-(4-fluorophenyl)propanoyl-propan-2-ylamino]butanoic acid
CID 60825387
3-(3,5-difluorophenyl)propanoic acid;fluorobenzene
CID 144589467
3-(4-cyanophenyl)propanoic acid;ethane
CID 143422626
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
4-(2-carboxyethyl)phenolate
CID 101364536
3-[4-(methylaminomethyl)phenyl]propanoic acid
CID 138583919
3-[4-[(1-fluorocyclopropyl)methyl]phenyl]propanoic acid
CID 84725016
methyl 4-(4-fluorophenyl)-2-oxobutanoate
CID 18370211

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-fluorophenyl)propanoic acid?
The IUPAC name of ethane;3-(4-fluorophenyl)propanoic acid (CID 142046245) is ethane;3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for ethane;3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for ethane;3-(4-fluorophenyl)propanoic acid is CC.O=C(O)CCc1ccc(F)cc1.
What is the InChIKey of ethane;3-(4-fluorophenyl)propanoic acid?
The InChIKey is HJMVGBPBXNFSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2.C2H6/c10-8-4-1-7(2-5-8)3-6-9(11)12;1-2/h1-2,4-5H,3,6H2,(H,11,12);1-2H3.
What are the key properties of ethane;3-(4-fluorophenyl)propanoic acid?
ethane;3-(4-fluorophenyl)propanoic acid has a molecular weight of 198.24 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 142046245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).