2-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]acetic acid

C15H16FNO2 — CID 117407184

IUPAC2-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]acetic acid
SMILESCc1cn(C)c2c(F)cc(C3(CC(=O)O)CC3)cc12
InChIInChI=1S/C15H16FNO2/c1-9-8-17(2)14-11(9)5-10(6-12(14)16)15(3-4-15)7-13(18)19/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyQABZJHZCJHAIIC-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.13
Rot. Bonds3

About 2-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]acetic acid

2-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]acetic acid (PubChem CID 117407184) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]acetic acid
PubChem CID117407184
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name2-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]acetic acid
SMILESCc1cn(C)c2c(F)cc(C3(CC(=O)O)CC3)cc12
InChIInChI=1S/C15H16FNO2/c1-9-8-17(2)14-11(9)5-10(6-12(14)16)15(3-4-15)7-13(18)19/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyQABZJHZCJHAIIC-UHFFFAOYSA-N
XLogP3.13
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]acetic acid (CID 117407184) is 2-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]acetic acid is Cc1cn(C)c2c(F)cc(C3(CC(=O)O)CC3)cc12.
What is the InChIKey of 2-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]acetic acid?
The InChIKey is QABZJHZCJHAIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-9-8-17(2)14-11(9)5-10(6-12(14)16)15(3-4-15)7-13(18)19/h5-6,8H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]acetic acid?
2-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]acetic acid has a molecular weight of 261.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-fluoro-1,3-dimethylindol-5-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 117407184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).