3-methyl-3-(trifluoromethyl)-2,4-dihydropyrrol-5-amine

C6H9F3N2 — CID 18983454

IUPAC3-methyl-3-(trifluoromethyl)-2,4-dihydropyrrol-5-amine
SMILESCC1(C(F)(F)F)CN=C(N)C1
InChIInChI=1S/C6H9F3N2/c1-5(6(7,8)9)2-4(10)11-3-5/h2-3H2,1H3,(H2,10,11)
InChIKeyYCTFYIXVCUYFJK-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.32
Rot. Bonds

About 3-methyl-3-(trifluoromethyl)-2,4-dihydropyrrol-5-amine

3-methyl-3-(trifluoromethyl)-2,4-dihydropyrrol-5-amine (PubChem CID 18983454) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 3-methyl-3-(trifluoromethyl)-2,4-dihydropyrrol-5-amine.

Molecular Properties

Compound Name3-methyl-3-(trifluoromethyl)-2,4-dihydropyrrol-5-amine
PubChem CID18983454
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name3-methyl-3-(trifluoromethyl)-2,4-dihydropyrrol-5-amine
SMILESCC1(C(F)(F)F)CN=C(N)C1
InChIInChI=1S/C6H9F3N2/c1-5(6(7,8)9)2-4(10)11-3-5/h2-3H2,1H3,(H2,10,11)
InChIKeyYCTFYIXVCUYFJK-UHFFFAOYSA-N
XLogP1.32
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(trifluoromethyl)-2,4-dihydropyrrol-5-amine?
The IUPAC name of 3-methyl-3-(trifluoromethyl)-2,4-dihydropyrrol-5-amine (CID 18983454) is 3-methyl-3-(trifluoromethyl)-2,4-dihydropyrrol-5-amine.
What is the SMILES notation for 3-methyl-3-(trifluoromethyl)-2,4-dihydropyrrol-5-amine?
The canonical SMILES for 3-methyl-3-(trifluoromethyl)-2,4-dihydropyrrol-5-amine is CC1(C(F)(F)F)CN=C(N)C1.
What is the InChIKey of 3-methyl-3-(trifluoromethyl)-2,4-dihydropyrrol-5-amine?
The InChIKey is YCTFYIXVCUYFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-5(6(7,8)9)2-4(10)11-3-5/h2-3H2,1H3,(H2,10,11).
What are the key properties of 3-methyl-3-(trifluoromethyl)-2,4-dihydropyrrol-5-amine?
3-methyl-3-(trifluoromethyl)-2,4-dihydropyrrol-5-amine has a molecular weight of 166.15 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(trifluoromethyl)-2,4-dihydropyrrol-5-amine is sourced from PubChem (CID 18983454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).