N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine

C6H7F3N2 — CID 115257657

IUPACN-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine
SMILESFC(F)(F)CNc1cc[nH]c1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)4-11-5-1-2-10-3-5/h1-3,10-11H,4H2
InChIKeyIAZCRHWERWSDNX-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.99
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine

N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine (PubChem CID 115257657) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine
PubChem CID115257657
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC NameN-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine
SMILESFC(F)(F)CNc1cc[nH]c1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)4-11-5-1-2-10-3-5/h1-3,10-11H,4H2
InChIKeyIAZCRHWERWSDNX-UHFFFAOYSA-N
XLogP1.99
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine (CID 115257657) is N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine is FC(F)(F)CNc1cc[nH]c1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine?
The InChIKey is IAZCRHWERWSDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c7-6(8,9)4-11-5-1-2-10-3-5/h1-3,10-11H,4H2.
What are the key properties of N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine?
N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine has a molecular weight of 164.13 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine is sourced from PubChem (CID 115257657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).