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

C6H8F2N2 — CID 141191336

IUPACN-(2,2-difluoroethyl)-1H-pyrrol-3-amine
SMILESFC(F)CNc1cc[nH]c1
InChIInChI=1S/C6H8F2N2/c7-6(8)4-10-5-1-2-9-3-5/h1-3,6,9-10H,4H2
InChIKeyWNILGKWTYGDJDI-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.69
Rot. Bonds3

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

N-(2,2-difluoroethyl)-1H-pyrrol-3-amine (PubChem CID 141191336) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1H-pyrrol-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1H-pyrrol-3-amine
PubChem CID141191336
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC NameN-(2,2-difluoroethyl)-1H-pyrrol-3-amine
SMILESFC(F)CNc1cc[nH]c1
InChIInChI=1S/C6H8F2N2/c7-6(8)4-10-5-1-2-9-3-5/h1-3,6,9-10H,4H2
InChIKeyWNILGKWTYGDJDI-UHFFFAOYSA-N
XLogP1.69
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1H-pyrrol-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1H-pyrrol-3-amine (CID 141191336) is N-(2,2-difluoroethyl)-1H-pyrrol-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1H-pyrrol-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1H-pyrrol-3-amine is FC(F)CNc1cc[nH]c1.
What is the InChIKey of N-(2,2-difluoroethyl)-1H-pyrrol-3-amine?
The InChIKey is WNILGKWTYGDJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2/c7-6(8)4-10-5-1-2-9-3-5/h1-3,6,9-10H,4H2.
What are the key properties of N-(2,2-difluoroethyl)-1H-pyrrol-3-amine?
N-(2,2-difluoroethyl)-1H-pyrrol-3-amine has a molecular weight of 146.14 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1H-pyrrol-3-amine is sourced from PubChem (CID 141191336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).