trans-(1R,2R)-2-(7-fluoro-1H-indol-3-yl)cyclopropane-1-carboxylic acid

C12H10FNO2 — CID 67290266

IUPACtrans-(1R,2R)-2-(7-fluoro-1H-indol-3-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1c[nH]c2c(F)cccc12
InChIInChI=1S/C12H10FNO2/c13-10-3-1-2-6-9(5-14-11(6)10)7-4-8(7)12(15)16/h1-3,5,7-8,14H,4H2,(H,15,16)/t7-,8-/m1/s1
InChIKeyCPGRXTVTXIZRSU-HTQZYQBOSA-N
MW219.22 g/mol
LogP2.50
Rot. Bonds2

About trans-(1R,2R)-2-(7-fluoro-1H-indol-3-yl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(7-fluoro-1H-indol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 67290266) has the molecular formula C12H10FNO2 and a molecular weight of 219.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-(7-fluoro-1H-indol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(7-fluoro-1H-indol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID67290266
Molecular FormulaC12H10FNO2
Molecular Weight219.22 g/mol
Exact Mass219.07
IUPAC Nametrans-(1R,2R)-2-(7-fluoro-1H-indol-3-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1c[nH]c2c(F)cccc12
InChIInChI=1S/C12H10FNO2/c13-10-3-1-2-6-9(5-14-11(6)10)7-4-8(7)12(15)16/h1-3,5,7-8,14H,4H2,(H,15,16)/t7-,8-/m1/s1
InChIKeyCPGRXTVTXIZRSU-HTQZYQBOSA-N
XLogP2.50
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(7-fluoro-1H-indol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(7-fluoro-1H-indol-3-yl)cyclopropane-1-carboxylic acid (CID 67290266) is trans-(1R,2R)-2-(7-fluoro-1H-indol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(7-fluoro-1H-indol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(7-fluoro-1H-indol-3-yl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1c1c[nH]c2c(F)cccc12.
What is the InChIKey of trans-(1R,2R)-2-(7-fluoro-1H-indol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is CPGRXTVTXIZRSU-HTQZYQBOSA-N. The full InChI is InChI=1S/C12H10FNO2/c13-10-3-1-2-6-9(5-14-11(6)10)7-4-8(7)12(15)16/h1-3,5,7-8,14H,4H2,(H,15,16)/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(7-fluoro-1H-indol-3-yl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(7-fluoro-1H-indol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 219.22 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(7-fluoro-1H-indol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 67290266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).