3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid

C14H18FNO2 — CID 117201252

IUPAC3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid
SMILESCC(C)N1c2ccc(F)cc2CC1CCC(=O)O
InChIInChI=1S/C14H18FNO2/c1-9(2)16-12(4-6-14(17)18)8-10-7-11(15)3-5-13(10)16/h3,5,7,9,12H,4,6,8H2,1-2H3,(H,17,18)
InChIKeyZERHKVRQICEELB-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.83
Rot. Bonds4

About 3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid

3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid (PubChem CID 117201252) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid
PubChem CID117201252
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid
SMILESCC(C)N1c2ccc(F)cc2CC1CCC(=O)O
InChIInChI=1S/C14H18FNO2/c1-9(2)16-12(4-6-14(17)18)8-10-7-11(15)3-5-13(10)16/h3,5,7,9,12H,4,6,8H2,1-2H3,(H,17,18)
InChIKeyZERHKVRQICEELB-UHFFFAOYSA-N
XLogP2.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid?
The IUPAC name of 3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid (CID 117201252) is 3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid?
The canonical SMILES for 3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid is CC(C)N1c2ccc(F)cc2CC1CCC(=O)O.
What is the InChIKey of 3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid?
The InChIKey is ZERHKVRQICEELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9(2)16-12(4-6-14(17)18)8-10-7-11(15)3-5-13(10)16/h3,5,7,9,12H,4,6,8H2,1-2H3,(H,17,18).
What are the key properties of 3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid?
3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid has a molecular weight of 251.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1-propan-2-yl-2,3-dihydroindol-2-yl)propanoic acid is sourced from PubChem (CID 117201252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).