1-(2,2-difluoroethyl)-2,5-dihydropyrrole

C6H9F2N — CID 139880316

IUPAC1-(2,2-difluoroethyl)-2,5-dihydropyrrole
SMILESFC(F)CN1CC=CC1
InChIInChI=1S/C6H9F2N/c7-6(8)5-9-3-1-2-4-9/h1-2,6H,3-5H2
InChIKeyFAMAIWQHTPRVLA-UHFFFAOYSA-N
MW133.14 g/mol
LogP1.12
Rot. Bonds2

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

1-(2,2-difluoroethyl)-2,5-dihydropyrrole (PubChem CID 139880316) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2,5-dihydropyrrole
PubChem CID139880316
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name1-(2,2-difluoroethyl)-2,5-dihydropyrrole
SMILESFC(F)CN1CC=CC1
InChIInChI=1S/C6H9F2N/c7-6(8)5-9-3-1-2-4-9/h1-2,6H,3-5H2
InChIKeyFAMAIWQHTPRVLA-UHFFFAOYSA-N
XLogP1.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 51.12
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

1-(3-fluoropropyl)-2,5-dihydro-1H-pyrrole
CID 145874744
1-Prop-2-enyl-2,5-dihydropyrrole
CID 67908753
N-methyl-N-(trifluoromethyl)prop-2-en-1-amine
CID 58019336
3-Methyl-1-(trifluoromethyl)-2,5-dihydropyrrole
CID 68350116
N-prop-2-enyl-N-(trifluoromethyl)prop-2-en-1-amine
CID 88598252
3-Fluoro-1-methyl-2,5-dihydropyrrole
CID 90903503
1-Methyl-3-(trifluoromethyl)-2,5-dihydropyrrole
CID 123870416
N-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine
CID 130670085
trimethyl-[(Z)-3,4,4-trifluorobut-2-enyl]azanium
CID 135270741
1-(2,2,2-Trifluoroethyl)-2,5-dihydropyrrole
CID 139880302
1-(1-Fluoroethyl)-2,5-dihydropyrrole
CID 139880311
1-(Fluoromethyl)-2,5-dihydropyrrole
CID 139880328

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2,5-dihydropyrrole?
The IUPAC name of 1-(2,2-difluoroethyl)-2,5-dihydropyrrole (CID 139880316) is 1-(2,2-difluoroethyl)-2,5-dihydropyrrole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2,5-dihydropyrrole?
The canonical SMILES for 1-(2,2-difluoroethyl)-2,5-dihydropyrrole is FC(F)CN1CC=CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-2,5-dihydropyrrole?
The InChIKey is FAMAIWQHTPRVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N/c7-6(8)5-9-3-1-2-4-9/h1-2,6H,3-5H2.
What are the key properties of 1-(2,2-difluoroethyl)-2,5-dihydropyrrole?
1-(2,2-difluoroethyl)-2,5-dihydropyrrole has a molecular weight of 133.14 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2,5-dihydropyrrole is sourced from PubChem (CID 139880316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).