(3R)-3-amino-3-[5-(trifluoromethyl)-1H-pyrrol-2-yl]propanenitrile

C8H8F3N3 — CID 130744222

IUPAC(3R)-3-amino-3-[5-(trifluoromethyl)-1H-pyrrol-2-yl]propanenitrile
SMILESN#CC[C@@H](N)c1ccc(C(F)(F)F)[nH]1
InChIInChI=1S/C8H8F3N3/c9-8(10,11)7-2-1-6(14-7)5(13)3-4-12/h1-2,5,14H,3,13H2/t5-/m1/s1
InChIKeyQGNPYVHJBJYTCL-RXMQYKEDSA-N
MW203.17 g/mol
LogP1.95
Rot. Bonds2

About (3R)-3-amino-3-[5-(trifluoromethyl)-1H-pyrrol-2-yl]propanenitrile

(3R)-3-amino-3-[5-(trifluoromethyl)-1H-pyrrol-2-yl]propanenitrile (PubChem CID 130744222) has the molecular formula C8H8F3N3 and a molecular weight of 203.17 g/mol. Its IUPAC name is (3R)-3-amino-3-[5-(trifluoromethyl)-1H-pyrrol-2-yl]propanenitrile.

Molecular Properties

Compound Name(3R)-3-amino-3-[5-(trifluoromethyl)-1H-pyrrol-2-yl]propanenitrile
PubChem CID130744222
Molecular FormulaC8H8F3N3
Molecular Weight203.17 g/mol
Exact Mass203.07
IUPAC Name(3R)-3-amino-3-[5-(trifluoromethyl)-1H-pyrrol-2-yl]propanenitrile
SMILESN#CC[C@@H](N)c1ccc(C(F)(F)F)[nH]1
InChIInChI=1S/C8H8F3N3/c9-8(10,11)7-2-1-6(14-7)5(13)3-4-12/h1-2,5,14H,3,13H2/t5-/m1/s1
InChIKeyQGNPYVHJBJYTCL-RXMQYKEDSA-N
XLogP1.95
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-[5-(trifluoromethyl)-1H-pyrrol-2-yl]propanenitrile?
The IUPAC name of (3R)-3-amino-3-[5-(trifluoromethyl)-1H-pyrrol-2-yl]propanenitrile (CID 130744222) is (3R)-3-amino-3-[5-(trifluoromethyl)-1H-pyrrol-2-yl]propanenitrile.
What is the SMILES notation for (3R)-3-amino-3-[5-(trifluoromethyl)-1H-pyrrol-2-yl]propanenitrile?
The canonical SMILES for (3R)-3-amino-3-[5-(trifluoromethyl)-1H-pyrrol-2-yl]propanenitrile is N#CC[C@@H](N)c1ccc(C(F)(F)F)[nH]1.
What is the InChIKey of (3R)-3-amino-3-[5-(trifluoromethyl)-1H-pyrrol-2-yl]propanenitrile?
The InChIKey is QGNPYVHJBJYTCL-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8F3N3/c9-8(10,11)7-2-1-6(14-7)5(13)3-4-12/h1-2,5,14H,3,13H2/t5-/m1/s1.
What are the key properties of (3R)-3-amino-3-[5-(trifluoromethyl)-1H-pyrrol-2-yl]propanenitrile?
(3R)-3-amino-3-[5-(trifluoromethyl)-1H-pyrrol-2-yl]propanenitrile has a molecular weight of 203.17 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-[5-(trifluoromethyl)-1H-pyrrol-2-yl]propanenitrile is sourced from PubChem (CID 130744222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).