N-ethyl-5-fluoro-1-methylpyrrol-3-amine

C7H11FN2 — CID 123146130

IUPACN-ethyl-5-fluoro-1-methylpyrrol-3-amine
SMILESCCNc1cc(F)n(C)c1
InChIInChI=1S/C7H11FN2/c1-3-9-6-4-7(8)10(2)5-6/h4-5,9H,3H2,1-2H3
InChIKeyDYGGQHCKMNNNRM-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.60
Rot. Bonds2

About N-ethyl-5-fluoro-1-methylpyrrol-3-amine

N-ethyl-5-fluoro-1-methylpyrrol-3-amine (PubChem CID 123146130) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is N-ethyl-5-fluoro-1-methylpyrrol-3-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-1-methylpyrrol-3-amine
PubChem CID123146130
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC NameN-ethyl-5-fluoro-1-methylpyrrol-3-amine
SMILESCCNc1cc(F)n(C)c1
InChIInChI=1S/C7H11FN2/c1-3-9-6-4-7(8)10(2)5-6/h4-5,9H,3H2,1-2H3
InChIKeyDYGGQHCKMNNNRM-UHFFFAOYSA-N
XLogP1.60
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-1-methylpyrrol-3-amine?
The IUPAC name of N-ethyl-5-fluoro-1-methylpyrrol-3-amine (CID 123146130) is N-ethyl-5-fluoro-1-methylpyrrol-3-amine.
What is the SMILES notation for N-ethyl-5-fluoro-1-methylpyrrol-3-amine?
The canonical SMILES for N-ethyl-5-fluoro-1-methylpyrrol-3-amine is CCNc1cc(F)n(C)c1.
What is the InChIKey of N-ethyl-5-fluoro-1-methylpyrrol-3-amine?
The InChIKey is DYGGQHCKMNNNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-3-9-6-4-7(8)10(2)5-6/h4-5,9H,3H2,1-2H3.
What are the key properties of N-ethyl-5-fluoro-1-methylpyrrol-3-amine?
N-ethyl-5-fluoro-1-methylpyrrol-3-amine has a molecular weight of 142.18 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-1-methylpyrrol-3-amine is sourced from PubChem (CID 123146130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).