3-(difluoromethyl)-4-methyl-2H-pyrrole

C6H7F2N — CID 161178243

IUPAC3-(difluoromethyl)-4-methyl-2H-pyrrole
SMILESCC1=C(C(F)F)CN=C1
InChIInChI=1S/C6H7F2N/c1-4-2-9-3-5(4)6(7)8/h2,6H,3H2,1H3
InChIKeyLMSFWCWQSSIUGO-UHFFFAOYSA-N
MW131.12 g/mol
LogP1.65
Rot. Bonds1

About 3-(difluoromethyl)-4-methyl-2H-pyrrole

3-(difluoromethyl)-4-methyl-2H-pyrrole (PubChem CID 161178243) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-methyl-2H-pyrrole.

Molecular Properties

Compound Name3-(difluoromethyl)-4-methyl-2H-pyrrole
PubChem CID161178243
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name3-(difluoromethyl)-4-methyl-2H-pyrrole
SMILESCC1=C(C(F)F)CN=C1
InChIInChI=1S/C6H7F2N/c1-4-2-9-3-5(4)6(7)8/h2,6H,3H2,1H3
InChIKeyLMSFWCWQSSIUGO-UHFFFAOYSA-N
XLogP1.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethyl-4-(trifluoromethyl)-2H-pyrrol-1-ium
CID 59580180
N-methyl-2-(trifluoromethyl)prop-2-en-1-imine
CID 90766400
4-(trifluoromethyl)-2H-pyrrole
CID 129305257
2-(difluoromethyl)-N-methylprop-2-en-1-imine
CID 139563770
3-(fluoromethyl)-4-methyl-2H-pyrrole
CID 161178242
4-methyl-3-(trifluoromethyl)-2H-pyrrole
CID 161178244
3-fluoro-4-methyl-2H-pyrrole
CID 173508431
4-(difluoromethyl)-2H-pyrrole
CID 174763295
4-fluoro-3-methyl-2H-pyrrole
CID 143441217
(E)-4,4,4-trifluoro-N,2,3-trimethylbut-2-en-1-imine
CID 144511164

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-methyl-2H-pyrrole?
The IUPAC name of 3-(difluoromethyl)-4-methyl-2H-pyrrole (CID 161178243) is 3-(difluoromethyl)-4-methyl-2H-pyrrole.
What is the SMILES notation for 3-(difluoromethyl)-4-methyl-2H-pyrrole?
The canonical SMILES for 3-(difluoromethyl)-4-methyl-2H-pyrrole is CC1=C(C(F)F)CN=C1.
What is the InChIKey of 3-(difluoromethyl)-4-methyl-2H-pyrrole?
The InChIKey is LMSFWCWQSSIUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N/c1-4-2-9-3-5(4)6(7)8/h2,6H,3H2,1H3.
What are the key properties of 3-(difluoromethyl)-4-methyl-2H-pyrrole?
3-(difluoromethyl)-4-methyl-2H-pyrrole has a molecular weight of 131.12 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-methyl-2H-pyrrole is sourced from PubChem (CID 161178243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).