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

C6H8F3N — CID 123157362

IUPAC1-methyl-2-(trifluoromethyl)-2,5-dihydropyrrole
SMILESCN1CC=CC1C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-10-4-2-3-5(10)6(7,8)9/h2-3,5H,4H2,1H3
InChIKeyKVUZOZGCXQDVAX-UHFFFAOYSA-N
MW151.13 g/mol
LogP1.42
Rot. Bonds

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

1-methyl-2-(trifluoromethyl)-2,5-dihydropyrrole (PubChem CID 123157362) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethyl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethyl)-2,5-dihydropyrrole
PubChem CID123157362
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name1-methyl-2-(trifluoromethyl)-2,5-dihydropyrrole
SMILESCN1CC=CC1C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-10-4-2-3-5(10)6(7,8)9/h2-3,5H,4H2,1H3
InChIKeyKVUZOZGCXQDVAX-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Diethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium
CID 54504163
(E)-N,N-bis(trifluoromethyl)pent-2-en-1-amine
CID 59366583
3,3-Difluoro-1-methyl-2,6-dihydropyridine
CID 118595142
(Z)-1,1,1-trifluoro-N,N-dimethylpent-3-en-2-amine
CID 129140575
(6R)-3-fluoro-1,6-dimethyl-3,6-dihydro-2H-pyridine
CID 132066957
4-Fluoro-1,2-dimethyl-2,5-dihydropyrrole
CID 139314201
1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,6-dihydro-2H-pyridine
CID 145322980
Diethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium;methane
CID 159481816
1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine
CID 162613809
1-(2-fluoroethyl)-2-[(E)-pent-1-enyl]-2,5-dihydropyrrole
CID 164922123
3,3-Difluoro-1-propan-2-yl-2,6-dihydropyridine
CID 166157513
6,6-difluoro-1-propan-2-yl-3,7-dihydro-2H-azepine
CID 166157546

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethyl)-2,5-dihydropyrrole?
The IUPAC name of 1-methyl-2-(trifluoromethyl)-2,5-dihydropyrrole (CID 123157362) is 1-methyl-2-(trifluoromethyl)-2,5-dihydropyrrole.
What is the SMILES notation for 1-methyl-2-(trifluoromethyl)-2,5-dihydropyrrole?
The canonical SMILES for 1-methyl-2-(trifluoromethyl)-2,5-dihydropyrrole is CN1CC=CC1C(F)(F)F.
What is the InChIKey of 1-methyl-2-(trifluoromethyl)-2,5-dihydropyrrole?
The InChIKey is KVUZOZGCXQDVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N/c1-10-4-2-3-5(10)6(7,8)9/h2-3,5H,4H2,1H3.
What are the key properties of 1-methyl-2-(trifluoromethyl)-2,5-dihydropyrrole?
1-methyl-2-(trifluoromethyl)-2,5-dihydropyrrole has a molecular weight of 151.13 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethyl)-2,5-dihydropyrrole is sourced from PubChem (CID 123157362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).