1,4-dimethyl-3-(trifluoromethyl)-2,3-dihydropyrrole

C7H10F3N — CID 162586938

IUPAC1,4-dimethyl-3-(trifluoromethyl)-2,3-dihydropyrrole
SMILESCC1=CN(C)CC1C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-5-3-11(2)4-6(5)7(8,9)10/h3,6H,4H2,1-2H3
InChIKeyFTWWJVNMSGLZED-UHFFFAOYSA-N
MW165.16 g/mol
LogP2.01
Rot. Bonds

About 1,4-dimethyl-3-(trifluoromethyl)-2,3-dihydropyrrole

1,4-dimethyl-3-(trifluoromethyl)-2,3-dihydropyrrole (PubChem CID 162586938) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is 1,4-dimethyl-3-(trifluoromethyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1,4-dimethyl-3-(trifluoromethyl)-2,3-dihydropyrrole
PubChem CID162586938
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name1,4-dimethyl-3-(trifluoromethyl)-2,3-dihydropyrrole
SMILESCC1=CN(C)CC1C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-5-3-11(2)4-6(5)7(8,9)10/h3,6H,4H2,1-2H3
InChIKeyFTWWJVNMSGLZED-UHFFFAOYSA-N
XLogP2.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-4-(trifluoromethyl)-2,3-dihydropyrrole
CID 123719750
4-(Difluoromethyl)-1-methyl-2,3-dihydropyrrole
CID 150920860
(Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine
CID 156509220
4-Methyl-1-(2,2,2-trifluoroethyl)-2,3-dihydropyrrole
CID 168993435
3-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
CID 146769063
1-Methyl-4-(trifluoromethyl)-2,3-dihydropyrrole-3-carbonitrile
CID 153687387
1,3,4-Trimethyl-2,3-dihydropyrrole
CID 53854439

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-(trifluoromethyl)-2,3-dihydropyrrole?
The IUPAC name of 1,4-dimethyl-3-(trifluoromethyl)-2,3-dihydropyrrole (CID 162586938) is 1,4-dimethyl-3-(trifluoromethyl)-2,3-dihydropyrrole.
What is the SMILES notation for 1,4-dimethyl-3-(trifluoromethyl)-2,3-dihydropyrrole?
The canonical SMILES for 1,4-dimethyl-3-(trifluoromethyl)-2,3-dihydropyrrole is CC1=CN(C)CC1C(F)(F)F.
What is the InChIKey of 1,4-dimethyl-3-(trifluoromethyl)-2,3-dihydropyrrole?
The InChIKey is FTWWJVNMSGLZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N/c1-5-3-11(2)4-6(5)7(8,9)10/h3,6H,4H2,1-2H3.
What are the key properties of 1,4-dimethyl-3-(trifluoromethyl)-2,3-dihydropyrrole?
1,4-dimethyl-3-(trifluoromethyl)-2,3-dihydropyrrole has a molecular weight of 165.16 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-(trifluoromethyl)-2,3-dihydropyrrole is sourced from PubChem (CID 162586938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).