2-[5-(trifluoromethyl)-1H-indol-3-yl]acetonitrile

C11H7F3N2 — CID 34175971

IUPAC2-[5-(trifluoromethyl)-1H-indol-3-yl]acetonitrile
SMILESN#CCc1c[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C11H7F3N2/c12-11(13,14)8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3H2
InChIKeyRLNKXFUKNFUIHO-UHFFFAOYSA-N
MW224.19 g/mol
LogP3.25
Rot. Bonds1

About 2-[5-(trifluoromethyl)-1H-indol-3-yl]acetonitrile

2-[5-(trifluoromethyl)-1H-indol-3-yl]acetonitrile (PubChem CID 34175971) has the molecular formula C11H7F3N2 and a molecular weight of 224.19 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-indol-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-indol-3-yl]acetonitrile
PubChem CID34175971
Molecular FormulaC11H7F3N2
Molecular Weight224.19 g/mol
Exact Mass224.06
IUPAC Name2-[5-(trifluoromethyl)-1H-indol-3-yl]acetonitrile
SMILESN#CCc1c[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C11H7F3N2/c12-11(13,14)8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3H2
InChIKeyRLNKXFUKNFUIHO-UHFFFAOYSA-N
XLogP3.25
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-indol-3-yl]acetonitrile?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-indol-3-yl]acetonitrile (CID 34175971) is 2-[5-(trifluoromethyl)-1H-indol-3-yl]acetonitrile.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-indol-3-yl]acetonitrile?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-indol-3-yl]acetonitrile is N#CCc1c[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-indol-3-yl]acetonitrile?
The InChIKey is RLNKXFUKNFUIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2/c12-11(13,14)8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3H2.
What are the key properties of 2-[5-(trifluoromethyl)-1H-indol-3-yl]acetonitrile?
2-[5-(trifluoromethyl)-1H-indol-3-yl]acetonitrile has a molecular weight of 224.19 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-indol-3-yl]acetonitrile is sourced from PubChem (CID 34175971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).