1-(difluoromethyl)-2,5-dihydropyrrole

C5H7F2N — CID 139880335

IUPAC1-(difluoromethyl)-2,5-dihydropyrrole
SMILESFC(F)N1CC=CC1
InChIInChI=1S/C5H7F2N/c6-5(7)8-3-1-2-4-8/h1-2,5H,3-4H2
InChIKeyYAMDVENFKHRKCG-UHFFFAOYSA-N
MW119.11 g/mol
LogP1.08
Rot. Bonds1

About 1-(difluoromethyl)-2,5-dihydropyrrole

1-(difluoromethyl)-2,5-dihydropyrrole (PubChem CID 139880335) has the molecular formula C5H7F2N and a molecular weight of 119.11 g/mol. Its IUPAC name is 1-(difluoromethyl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(difluoromethyl)-2,5-dihydropyrrole
PubChem CID139880335
Molecular FormulaC5H7F2N
Molecular Weight119.11 g/mol
Exact Mass119.05
IUPAC Name1-(difluoromethyl)-2,5-dihydropyrrole
SMILESFC(F)N1CC=CC1
InChIInChI=1S/C5H7F2N/c6-5(7)8-3-1-2-4-8/h1-2,5H,3-4H2
InChIKeyYAMDVENFKHRKCG-UHFFFAOYSA-N
XLogP1.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.11
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoropropyl)-2,5-dihydro-1H-pyrrole
CID 145874744
N,N-Bis(trifluoromethyl)prop-2-en-1-amine
CID 57920871
(E)-N,N-bis(trifluoromethyl)but-2-en-1-amine;tungsten
CID 58019324
N-prop-2-enyl-N-(trifluoromethyl)prop-2-en-1-amine
CID 88598252
N-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine
CID 130670085
1-(2,2,2-Trifluoroethyl)-2,5-dihydropyrrole
CID 139880302
1-(1-Fluoroethyl)-2,5-dihydropyrrole
CID 139880311
1-(2,2-Difluoroethyl)-2,5-dihydropyrrole
CID 139880316
1-(Fluoromethyl)-2,5-dihydropyrrole
CID 139880328
N,N-bis(2,2,2-trifluoroethyl)prop-2-en-1-amine
CID 140552329
1-(Trifluoromethyl)-2,5-dihydropyrrole
CID 141473800
(E)-N,N'-bis(1,1,2,2,2-pentafluoroethyl)-N,N'-bis(trifluoromethyl)but-2-ene-1,4-diamine
CID 142488202

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2,5-dihydropyrrole?
The IUPAC name of 1-(difluoromethyl)-2,5-dihydropyrrole (CID 139880335) is 1-(difluoromethyl)-2,5-dihydropyrrole.
What is the SMILES notation for 1-(difluoromethyl)-2,5-dihydropyrrole?
The canonical SMILES for 1-(difluoromethyl)-2,5-dihydropyrrole is FC(F)N1CC=CC1.
What is the InChIKey of 1-(difluoromethyl)-2,5-dihydropyrrole?
The InChIKey is YAMDVENFKHRKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N/c6-5(7)8-3-1-2-4-8/h1-2,5H,3-4H2.
What are the key properties of 1-(difluoromethyl)-2,5-dihydropyrrole?
1-(difluoromethyl)-2,5-dihydropyrrole has a molecular weight of 119.11 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2,5-dihydropyrrole is sourced from PubChem (CID 139880335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).