1,3-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-2,5-dihydropyrrole

C10H14F3N — CID 145278537

IUPAC1,3-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-2,5-dihydropyrrole
SMILESCC1=C(/C=C(\C)C(F)(F)F)CN(C)C1
InChIInChI=1S/C10H14F3N/c1-7-5-14(3)6-9(7)4-8(2)10(11,12)13/h4H,5-6H2,1-3H3/b8-4+
InChIKeyYSEJSFPTYNVMCI-XBXARRHUSA-N
MW205.22 g/mol
LogP2.76
Rot. Bonds1

About 1,3-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-2,5-dihydropyrrole

1,3-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-2,5-dihydropyrrole (PubChem CID 145278537) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is 1,3-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-2,5-dihydropyrrole.

Molecular Properties

Compound Name1,3-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-2,5-dihydropyrrole
PubChem CID145278537
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name1,3-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-2,5-dihydropyrrole
SMILESCC1=C(/C=C(\C)C(F)(F)F)CN(C)C1
InChIInChI=1S/C10H14F3N/c1-7-5-14(3)6-9(7)4-8(2)10(11,12)13/h4H,5-6H2,1-3H3/b8-4+
InChIKeyYSEJSFPTYNVMCI-XBXARRHUSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 20612496
4-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 68099687
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 89078466
(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908
1-Methyl-3-(2,2,2-trifluoroethyl)-2,5-dihydropyrrole
CID 117205457
(3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine
CID 121388651
2-Ethyl-1,1,5-trimethyl-3-(trifluoromethyl)pyrrol-1-ium
CID 123139499
6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine
CID 123519237
1,1,3-trimethyl-5-(trifluoromethyl)-2H-pyridin-1-ium
CID 123991187
1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 126994799
1-(5-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
CID 129059918

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-2,5-dihydropyrrole?
The IUPAC name of 1,3-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-2,5-dihydropyrrole (CID 145278537) is 1,3-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-2,5-dihydropyrrole.
What is the SMILES notation for 1,3-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-2,5-dihydropyrrole?
The canonical SMILES for 1,3-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-2,5-dihydropyrrole is CC1=C(/C=C(\C)C(F)(F)F)CN(C)C1.
What is the InChIKey of 1,3-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-2,5-dihydropyrrole?
The InChIKey is YSEJSFPTYNVMCI-XBXARRHUSA-N. The full InChI is InChI=1S/C10H14F3N/c1-7-5-14(3)6-9(7)4-8(2)10(11,12)13/h4H,5-6H2,1-3H3/b8-4+.
What are the key properties of 1,3-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-2,5-dihydropyrrole?
1,3-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-2,5-dihydropyrrole has a molecular weight of 205.22 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-2,5-dihydropyrrole is sourced from PubChem (CID 145278537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).