1-methyl-4-(trifluoromethoxy)-2,3-dihydropyrrole

C6H8F3NO — CID 123730445

IUPAC1-methyl-4-(trifluoromethoxy)-2,3-dihydropyrrole
SMILESCN1C=C(OC(F)(F)F)CC1
InChIInChI=1S/C6H8F3NO/c1-10-3-2-5(4-10)11-6(7,8)9/h4H,2-3H2,1H3
InChIKeyOWFKORJVFSWREG-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.70
Rot. Bonds1

About 1-methyl-4-(trifluoromethoxy)-2,3-dihydropyrrole

1-methyl-4-(trifluoromethoxy)-2,3-dihydropyrrole (PubChem CID 123730445) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethoxy)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethoxy)-2,3-dihydropyrrole
PubChem CID123730445
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name1-methyl-4-(trifluoromethoxy)-2,3-dihydropyrrole
SMILESCN1C=C(OC(F)(F)F)CC1
InChIInChI=1S/C6H8F3NO/c1-10-3-2-5(4-10)11-6(7,8)9/h4H,2-3H2,1H3
InChIKeyOWFKORJVFSWREG-UHFFFAOYSA-N
XLogP1.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethoxy)-2,3-dihydropyrrole?
The IUPAC name of 1-methyl-4-(trifluoromethoxy)-2,3-dihydropyrrole (CID 123730445) is 1-methyl-4-(trifluoromethoxy)-2,3-dihydropyrrole.
What is the SMILES notation for 1-methyl-4-(trifluoromethoxy)-2,3-dihydropyrrole?
The canonical SMILES for 1-methyl-4-(trifluoromethoxy)-2,3-dihydropyrrole is CN1C=C(OC(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(trifluoromethoxy)-2,3-dihydropyrrole?
The InChIKey is OWFKORJVFSWREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-10-3-2-5(4-10)11-6(7,8)9/h4H,2-3H2,1H3.
What are the key properties of 1-methyl-4-(trifluoromethoxy)-2,3-dihydropyrrole?
1-methyl-4-(trifluoromethoxy)-2,3-dihydropyrrole has a molecular weight of 167.13 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethoxy)-2,3-dihydropyrrole is sourced from PubChem (CID 123730445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).