3-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-pyrrole

C6H8F3N — CID 146769063

IUPAC3-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
SMILESCC1CNC=C1C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-4-2-10-3-5(4)6(7,8)9/h3-4,10H,2H2,1H3
InChIKeyRRHDEYKSVMOXNG-UHFFFAOYSA-N
MW151.13 g/mol
LogP1.67
Rot. Bonds

About 3-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-pyrrole

3-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-pyrrole (PubChem CID 146769063) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is 3-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
PubChem CID146769063
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name3-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
SMILESCC1CNC=C1C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-4-2-10-3-5(4)6(7,8)9/h3-4,10H,2H2,1H3
InChIKeyRRHDEYKSVMOXNG-UHFFFAOYSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Trifluoromethyl)-2-pyrroline
CID 155818181
4-methyl-2,3-dihydro-1H-pyrrole
CID 23323187
4-(fluoromethyl)-2,3-dihydro-1H-pyrrole
CID 89014784
(E)-N-ethyl-2-(trifluoromethyl)but-1-en-1-amine
CID 141874247
3-methyl-N-(2,2,2-trifluoroethyl)but-3-en-1-amine
CID 114471990
N-(2,2-difluoroethyl)-3-methylbut-3-en-1-amine
CID 114472461
5-Fluoro-4-methyl-1,2,3,4-tetrahydropyridine
CID 143242898
2,3-dimethyl-N-(2,2,2-trifluoroethyl)but-3-en-1-amine
CID 162577386
1,4-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyrrole
CID 162586938
N-ethenyl-3-(trifluoromethyl)but-3-en-1-amine
CID 172629678
ethane;4-methyl-2,3-dihydro-1H-pyrrole
CID 143486257
3,4-dimethyl-2,3-dihydro-1H-pyrrole
CID 147795775

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-pyrrole?
The IUPAC name of 3-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-pyrrole (CID 146769063) is 3-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 3-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 3-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-pyrrole is CC1CNC=C1C(F)(F)F.
What is the InChIKey of 3-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-pyrrole?
The InChIKey is RRHDEYKSVMOXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N/c1-4-2-10-3-5(4)6(7,8)9/h3-4,10H,2H2,1H3.
What are the key properties of 3-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-pyrrole?
3-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-pyrrole has a molecular weight of 151.13 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 146769063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).