3-(fluoromethyl)pyrrol-3-amine

C5H7FN2 — CID 141093179

IUPAC3-(fluoromethyl)pyrrol-3-amine
SMILESNC1(CF)C=CN=C1
InChIInChI=1S/C5H7FN2/c6-3-5(7)1-2-8-4-5/h1-2,4H,3,7H2
InChIKeyCUHOBZNFDOSDHX-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.25
Rot. Bonds1

About 3-(fluoromethyl)pyrrol-3-amine

3-(fluoromethyl)pyrrol-3-amine (PubChem CID 141093179) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 3-(fluoromethyl)pyrrol-3-amine.

Molecular Properties

Compound Name3-(fluoromethyl)pyrrol-3-amine
PubChem CID141093179
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name3-(fluoromethyl)pyrrol-3-amine
SMILESNC1(CF)C=CN=C1
InChIInChI=1S/C5H7FN2/c6-3-5(7)1-2-8-4-5/h1-2,4H,3,7H2
InChIKeyCUHOBZNFDOSDHX-UHFFFAOYSA-N
XLogP0.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3H-pyridin-4-amine
CID 150883510
(3S)-3-methylpyrrol-3-amine
CID 174816173
Pyrrole-3,3-diamine
CID 174916290
(3R)-3-methylpyrrol-3-amine
CID 177952610

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)pyrrol-3-amine?
The IUPAC name of 3-(fluoromethyl)pyrrol-3-amine (CID 141093179) is 3-(fluoromethyl)pyrrol-3-amine.
What is the SMILES notation for 3-(fluoromethyl)pyrrol-3-amine?
The canonical SMILES for 3-(fluoromethyl)pyrrol-3-amine is NC1(CF)C=CN=C1.
What is the InChIKey of 3-(fluoromethyl)pyrrol-3-amine?
The InChIKey is CUHOBZNFDOSDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c6-3-5(7)1-2-8-4-5/h1-2,4H,3,7H2.
What are the key properties of 3-(fluoromethyl)pyrrol-3-amine?
3-(fluoromethyl)pyrrol-3-amine has a molecular weight of 114.12 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)pyrrol-3-amine is sourced from PubChem (CID 141093179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).