5-(1,1-difluoroethyl)-2H-pyrrole

C6H7F2N — CID 145200832

IUPAC5-(1,1-difluoroethyl)-2H-pyrrole
SMILESCC(F)(F)C1=NCC=C1
InChIInChI=1S/C6H7F2N/c1-6(7,8)5-3-2-4-9-5/h2-3H,4H2,1H3
InChIKeyXYNMHIPJCAIRKC-UHFFFAOYSA-N
MW131.12 g/mol
LogP1.65
Rot. Bonds1

About 5-(1,1-difluoroethyl)-2H-pyrrole

5-(1,1-difluoroethyl)-2H-pyrrole (PubChem CID 145200832) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2H-pyrrole.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2H-pyrrole
PubChem CID145200832
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name5-(1,1-difluoroethyl)-2H-pyrrole
SMILESCC(F)(F)C1=NCC=C1
InChIInChI=1S/C6H7F2N/c1-6(7,8)5-3-2-4-9-5/h2-3H,4H2,1H3
InChIKeyXYNMHIPJCAIRKC-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

5-methyl-2H-pyrrole
CID 12554804
5-(trifluoromethyl)-2H-pyrrole
CID 58924994
(2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole
CID 89101610
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
(Z)-N-(trifluoromethyl)hex-4-en-3-imine
CID 123213688
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 123560506
(Z)-1,1-difluoro-N-methylpent-3-en-2-imine
CID 138552264
(Z)-1,1,1-trifluoro-N-methylhept-3-en-2-imine
CID 142438419
(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 142439237
5-(2,2-difluoroethyl)-2H-pyrrole
CID 142793317
2-methyl-5-(trifluoromethyl)-2H-pyrrole
CID 147083581

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2H-pyrrole?
The IUPAC name of 5-(1,1-difluoroethyl)-2H-pyrrole (CID 145200832) is 5-(1,1-difluoroethyl)-2H-pyrrole.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2H-pyrrole?
The canonical SMILES for 5-(1,1-difluoroethyl)-2H-pyrrole is CC(F)(F)C1=NCC=C1.
What is the InChIKey of 5-(1,1-difluoroethyl)-2H-pyrrole?
The InChIKey is XYNMHIPJCAIRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N/c1-6(7,8)5-3-2-4-9-5/h2-3H,4H2,1H3.
What are the key properties of 5-(1,1-difluoroethyl)-2H-pyrrole?
5-(1,1-difluoroethyl)-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 5-(1,1-difluoroethyl)-2H-pyrrole is sourced from PubChem (CID 145200832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).