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

C7H10F3N — CID 138509621

IUPAC3,5-dimethyl-3-(trifluoromethyl)-1,2-dihydropyrrole
SMILESCC1=CC(C)(C(F)(F)F)CN1
InChIInChI=1S/C7H10F3N/c1-5-3-6(2,4-11-5)7(8,9)10/h3,11H,4H2,1-2H3
InChIKeyPVQLRSFXAXKCMX-UHFFFAOYSA-N
MW165.16 g/mol
LogP2.06
Rot. Bonds

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

3,5-dimethyl-3-(trifluoromethyl)-1,2-dihydropyrrole (PubChem CID 138509621) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is 3,5-dimethyl-3-(trifluoromethyl)-1,2-dihydropyrrole.

Molecular Properties

Compound Name3,5-dimethyl-3-(trifluoromethyl)-1,2-dihydropyrrole
PubChem CID138509621
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name3,5-dimethyl-3-(trifluoromethyl)-1,2-dihydropyrrole
SMILESCC1=CC(C)(C(F)(F)F)CN1
InChIInChI=1S/C7H10F3N/c1-5-3-6(2,4-11-5)7(8,9)10/h3,11H,4H2,1-2H3
InChIKeyPVQLRSFXAXKCMX-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-3-(trifluoromethyl)-1,2-dihydropyrrole?
The IUPAC name of 3,5-dimethyl-3-(trifluoromethyl)-1,2-dihydropyrrole (CID 138509621) is 3,5-dimethyl-3-(trifluoromethyl)-1,2-dihydropyrrole.
What is the SMILES notation for 3,5-dimethyl-3-(trifluoromethyl)-1,2-dihydropyrrole?
The canonical SMILES for 3,5-dimethyl-3-(trifluoromethyl)-1,2-dihydropyrrole is CC1=CC(C)(C(F)(F)F)CN1.
What is the InChIKey of 3,5-dimethyl-3-(trifluoromethyl)-1,2-dihydropyrrole?
The InChIKey is PVQLRSFXAXKCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N/c1-5-3-6(2,4-11-5)7(8,9)10/h3,11H,4H2,1-2H3.
What are the key properties of 3,5-dimethyl-3-(trifluoromethyl)-1,2-dihydropyrrole?
3,5-dimethyl-3-(trifluoromethyl)-1,2-dihydropyrrole has a molecular weight of 165.16 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-3-(trifluoromethyl)-1,2-dihydropyrrole is sourced from PubChem (CID 138509621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).