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

C6H9F2N — CID 150920860

IUPAC4-(difluoromethyl)-1-methyl-2,3-dihydropyrrole
SMILESCN1C=C(C(F)F)CC1
InChIInChI=1S/C6H9F2N/c1-9-3-2-5(4-9)6(7)8/h4,6H,2-3H2,1H3
InChIKeyLDZPVBUZKABVIK-UHFFFAOYSA-N
MW133.14 g/mol
LogP1.47
Rot. Bonds1

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

4-(difluoromethyl)-1-methyl-2,3-dihydropyrrole (PubChem CID 150920860) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-methyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name4-(difluoromethyl)-1-methyl-2,3-dihydropyrrole
PubChem CID150920860
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name4-(difluoromethyl)-1-methyl-2,3-dihydropyrrole
SMILESCN1C=C(C(F)F)CC1
InChIInChI=1S/C6H9F2N/c1-9-3-2-5(4-9)6(7)8/h4,6H,2-3H2,1H3
InChIKeyLDZPVBUZKABVIK-UHFFFAOYSA-N
XLogP1.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-4-(trifluoromethyl)-2,3-dihydropyrrole
CID 123719750
1,2,2-trifluoro-3-methyl-N,N-bis(trifluoromethyl)but-3-en-1-amine
CID 124118226
1,2,2-trifluoro-N,3-dimethyl-N-(trifluoromethyl)but-3-en-1-amine
CID 134531029
4-Fluoro-1-methyl-2,3-dihydropyrrole
CID 154572373
(Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine
CID 156509220
N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine
CID 166140934
4-Methyl-1-(2,2,2-trifluoroethyl)-2,3-dihydropyrrole
CID 168993435
(Z)-3-fluoro-N,N,2-trimethylbut-1-en-1-amine
CID 169625009
1-Fluoro-4-methyl-2,3-dihydropyrrole
CID 174889861
1,4-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyrrole
CID 162586938
1-(3-Fluoropropyl)-4-methyl-2,3-dihydropyrrole
CID 164561497
1-Ethyl-4-methyl-2,3-dihydropyrrole
CID 22419349

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-methyl-2,3-dihydropyrrole?
The IUPAC name of 4-(difluoromethyl)-1-methyl-2,3-dihydropyrrole (CID 150920860) is 4-(difluoromethyl)-1-methyl-2,3-dihydropyrrole.
What is the SMILES notation for 4-(difluoromethyl)-1-methyl-2,3-dihydropyrrole?
The canonical SMILES for 4-(difluoromethyl)-1-methyl-2,3-dihydropyrrole is CN1C=C(C(F)F)CC1.
What is the InChIKey of 4-(difluoromethyl)-1-methyl-2,3-dihydropyrrole?
The InChIKey is LDZPVBUZKABVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N/c1-9-3-2-5(4-9)6(7)8/h4,6H,2-3H2,1H3.
What are the key properties of 4-(difluoromethyl)-1-methyl-2,3-dihydropyrrole?
4-(difluoromethyl)-1-methyl-2,3-dihydropyrrole has a molecular weight of 133.14 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-methyl-2,3-dihydropyrrole is sourced from PubChem (CID 150920860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).