1-methyl-5-(trifluoromethyl)-2,3-dihydropyrrole

C6H8F3N — CID 591653

IUPAC1-methyl-5-(trifluoromethyl)-2,3-dihydropyrrole
SMILESCN1CCC=C1C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-10-4-2-3-5(10)6(7,8)9/h3H,2,4H2,1H3
InChIKeyBDAWGMFMEUPZAG-UHFFFAOYSA-N
MW151.13 g/mol
LogP1.77
Rot. Bonds

About 1-methyl-5-(trifluoromethyl)-2,3-dihydropyrrole

1-methyl-5-(trifluoromethyl)-2,3-dihydropyrrole (PubChem CID 591653) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)-2,3-dihydropyrrole
PubChem CID591653
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name1-methyl-5-(trifluoromethyl)-2,3-dihydropyrrole
SMILESCN1CCC=C1C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-10-4-2-3-5(10)6(7,8)9/h3H,2,4H2,1H3
InChIKeyBDAWGMFMEUPZAG-UHFFFAOYSA-N
XLogP1.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethyl)-2,3-dihydropyrrole?
The IUPAC name of 1-methyl-5-(trifluoromethyl)-2,3-dihydropyrrole (CID 591653) is 1-methyl-5-(trifluoromethyl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)-2,3-dihydropyrrole?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)-2,3-dihydropyrrole is CN1CCC=C1C(F)(F)F.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)-2,3-dihydropyrrole?
The InChIKey is BDAWGMFMEUPZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N/c1-10-4-2-3-5(10)6(7,8)9/h3H,2,4H2,1H3.
What are the key properties of 1-methyl-5-(trifluoromethyl)-2,3-dihydropyrrole?
1-methyl-5-(trifluoromethyl)-2,3-dihydropyrrole has a molecular weight of 151.13 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethyl)-2,3-dihydropyrrole is sourced from PubChem (CID 591653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).