4-(difluoromethyl)-2-(fluoromethyl)-1H-pyrrole

C6H6F3N — CID 174952815

IUPAC4-(difluoromethyl)-2-(fluoromethyl)-1H-pyrrole
SMILESFCc1cc(C(F)F)c[nH]1
InChIInChI=1S/C6H6F3N/c7-2-5-1-4(3-10-5)6(8)9/h1,3,6,10H,2H2
InChIKeyPGGIWKLKROCMGM-UHFFFAOYSA-N
MW149.11 g/mol
LogP2.42
Rot. Bonds2

About 4-(difluoromethyl)-2-(fluoromethyl)-1H-pyrrole

4-(difluoromethyl)-2-(fluoromethyl)-1H-pyrrole (PubChem CID 174952815) has the molecular formula C6H6F3N and a molecular weight of 149.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(fluoromethyl)-1H-pyrrole.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(fluoromethyl)-1H-pyrrole
PubChem CID174952815
Molecular FormulaC6H6F3N
Molecular Weight149.11 g/mol
Exact Mass149.05
IUPAC Name4-(difluoromethyl)-2-(fluoromethyl)-1H-pyrrole
SMILESFCc1cc(C(F)F)c[nH]1
InChIInChI=1S/C6H6F3N/c7-2-5-1-4(3-10-5)6(8)9/h1,3,6,10H,2H2
InChIKeyPGGIWKLKROCMGM-UHFFFAOYSA-N
XLogP2.42
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(fluoromethyl)-1H-pyrrole?
The IUPAC name of 4-(difluoromethyl)-2-(fluoromethyl)-1H-pyrrole (CID 174952815) is 4-(difluoromethyl)-2-(fluoromethyl)-1H-pyrrole.
What is the SMILES notation for 4-(difluoromethyl)-2-(fluoromethyl)-1H-pyrrole?
The canonical SMILES for 4-(difluoromethyl)-2-(fluoromethyl)-1H-pyrrole is FCc1cc(C(F)F)c[nH]1.
What is the InChIKey of 4-(difluoromethyl)-2-(fluoromethyl)-1H-pyrrole?
The InChIKey is PGGIWKLKROCMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N/c7-2-5-1-4(3-10-5)6(8)9/h1,3,6,10H,2H2.
What are the key properties of 4-(difluoromethyl)-2-(fluoromethyl)-1H-pyrrole?
4-(difluoromethyl)-2-(fluoromethyl)-1H-pyrrole has a molecular weight of 149.11 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(fluoromethyl)-1H-pyrrole is sourced from PubChem (CID 174952815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).