3-(6-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid

C14H18FNO2 — CID 82277189

IUPAC3-(6-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid
SMILESCC(C)N1CC(CCC(=O)O)c2ccc(F)cc21
InChIInChI=1S/C14H18FNO2/c1-9(2)16-8-10(3-6-14(17)18)12-5-4-11(15)7-13(12)16/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,17,18)
InChIKeySBPITLQNTALAKD-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.00
Rot. Bonds4

About 3-(6-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid

3-(6-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid (PubChem CID 82277189) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-(6-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid
PubChem CID82277189
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-(6-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid
SMILESCC(C)N1CC(CCC(=O)O)c2ccc(F)cc21
InChIInChI=1S/C14H18FNO2/c1-9(2)16-8-10(3-6-14(17)18)12-5-4-11(15)7-13(12)16/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,17,18)
InChIKeySBPITLQNTALAKD-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid?
The IUPAC name of 3-(6-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid (CID 82277189) is 3-(6-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid.
What is the SMILES notation for 3-(6-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid?
The canonical SMILES for 3-(6-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid is CC(C)N1CC(CCC(=O)O)c2ccc(F)cc21.
What is the InChIKey of 3-(6-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid?
The InChIKey is SBPITLQNTALAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9(2)16-8-10(3-6-14(17)18)12-5-4-11(15)7-13(12)16/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,17,18).
What are the key properties of 3-(6-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid?
3-(6-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid has a molecular weight of 251.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)propanoic acid is sourced from PubChem (CID 82277189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).