2-[1-(7-fluoro-1H-indol-6-yl)cyclopropyl]acetic acid

C13H12FNO2 — CID 117337745

IUPAC2-[1-(7-fluoro-1H-indol-6-yl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc3cc[nH]c3c2F)CC1
InChIInChI=1S/C13H12FNO2/c14-11-9(13(4-5-13)7-10(16)17)2-1-8-3-6-15-12(8)11/h1-3,6,15H,4-5,7H2,(H,16,17)
InChIKeyIAIQDMJPOQNBNX-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.81
Rot. Bonds3

About 2-[1-(7-fluoro-1H-indol-6-yl)cyclopropyl]acetic acid

2-[1-(7-fluoro-1H-indol-6-yl)cyclopropyl]acetic acid (PubChem CID 117337745) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-[1-(7-fluoro-1H-indol-6-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(7-fluoro-1H-indol-6-yl)cyclopropyl]acetic acid
PubChem CID117337745
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Name2-[1-(7-fluoro-1H-indol-6-yl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc3cc[nH]c3c2F)CC1
InChIInChI=1S/C13H12FNO2/c14-11-9(13(4-5-13)7-10(16)17)2-1-8-3-6-15-12(8)11/h1-3,6,15H,4-5,7H2,(H,16,17)
InChIKeyIAIQDMJPOQNBNX-UHFFFAOYSA-N
XLogP2.81
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid
CID 117462835
7-fluoro-6-(1-isocyanatocyclopropyl)-1H-indole
CID 117307839
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914
2-[1-(carboxymethyl)cyclopropyl]-5-fluorobenzoic acid
CID 117348464
2-[1-(2-fluoro-3-methoxyphenyl)cyclopropyl]acetic acid
CID 84789631
2-[1-(3-fluoro-4-hydroxy-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800393
2-[1-(2,3,6-trifluorophenyl)cyclopropyl]acetic acid
CID 117331938
2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid
CID 84790886
2-[1-(2,3,4,5,6-pentafluorophenyl)cyclopropyl]acetic acid
CID 117419143
2-[1-(2-fluoro-3,6-dihydroxyphenyl)cyclopropyl]acetic acid
CID 84790843
2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid
CID 117332749
2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid
CID 84780127

Frequently Asked Questions

What is the IUPAC name of 2-[1-(7-fluoro-1H-indol-6-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(7-fluoro-1H-indol-6-yl)cyclopropyl]acetic acid (CID 117337745) is 2-[1-(7-fluoro-1H-indol-6-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(7-fluoro-1H-indol-6-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(7-fluoro-1H-indol-6-yl)cyclopropyl]acetic acid is O=C(O)CC1(c2ccc3cc[nH]c3c2F)CC1.
What is the InChIKey of 2-[1-(7-fluoro-1H-indol-6-yl)cyclopropyl]acetic acid?
The InChIKey is IAIQDMJPOQNBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c14-11-9(13(4-5-13)7-10(16)17)2-1-8-3-6-15-12(8)11/h1-3,6,15H,4-5,7H2,(H,16,17).
What are the key properties of 2-[1-(7-fluoro-1H-indol-6-yl)cyclopropyl]acetic acid?
2-[1-(7-fluoro-1H-indol-6-yl)cyclopropyl]acetic acid has a molecular weight of 233.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7-fluoro-1H-indol-6-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 117337745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).