1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrrole

C8H12F3N — CID 146392966

IUPAC1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrrole
SMILESCC1=C(C(F)(F)F)N(C)C(C)C1
InChIInChI=1S/C8H12F3N/c1-5-4-6(2)12(3)7(5)8(9,10)11/h6H,4H2,1-3H3
InChIKeyVTHXPENKUPIPNO-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.55
Rot. Bonds

About 1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrrole

1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrrole (PubChem CID 146392966) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is 1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrrole
PubChem CID146392966
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrrole
SMILESCC1=C(C(F)(F)F)N(C)C(C)C1
InChIInChI=1S/C8H12F3N/c1-5-4-6(2)12(3)7(5)8(9,10)11/h6H,4H2,1-3H3
InChIKeyVTHXPENKUPIPNO-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrrole?
The IUPAC name of 1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrrole (CID 146392966) is 1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrrole.
What is the SMILES notation for 1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrrole?
The canonical SMILES for 1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrrole is CC1=C(C(F)(F)F)N(C)C(C)C1.
What is the InChIKey of 1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrrole?
The InChIKey is VTHXPENKUPIPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-5-4-6(2)12(3)7(5)8(9,10)11/h6H,4H2,1-3H3.
What are the key properties of 1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrrole?
1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrrole has a molecular weight of 179.18 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-5-(trifluoromethyl)-2,3-dihydropyrrole is sourced from PubChem (CID 146392966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).