1-(2-deuterio-4,6-difluorophenyl)pyrrole

C10H7F2N — CID 175974049

IUPAC1-(2-deuterio-4,6-difluorophenyl)pyrrole
SMILES[2H]c1cc(F)cc(F)c1-n1cccc1
InChIInChI=1S/C10H7F2N/c11-8-3-4-10(9(12)7-8)13-5-1-2-6-13/h1-7H/i4D
InChIKeyZAZINVQEIDWJRC-QYKNYGDISA-N
MW180.18 g/mol
LogP2.76
Rot. Bonds1

About 1-(2-deuterio-4,6-difluorophenyl)pyrrole

1-(2-deuterio-4,6-difluorophenyl)pyrrole (PubChem CID 175974049) has the molecular formula C10H7F2N and a molecular weight of 180.18 g/mol. Its IUPAC name is 1-(2-deuterio-4,6-difluorophenyl)pyrrole.

Molecular Properties

Compound Name1-(2-deuterio-4,6-difluorophenyl)pyrrole
PubChem CID175974049
Molecular FormulaC10H7F2N
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name1-(2-deuterio-4,6-difluorophenyl)pyrrole
SMILES[2H]c1cc(F)cc(F)c1-n1cccc1
InChIInChI=1S/C10H7F2N/c11-8-3-4-10(9(12)7-8)13-5-1-2-6-13/h1-7H/i4D
InChIKeyZAZINVQEIDWJRC-QYKNYGDISA-N
XLogP2.76
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-4-methylphenyl)pyrrole
CID 19759552
5-fluoro-2-pyrrol-1-ylbenzoic acid
CID 24700120
1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole
CID 171371245
2,4-difluoro-5-pyrrol-1-ylbenzoic acid
CID 60828835
2-(2,4-difluorophenyl)isoindole
CID 19820193
1-(2-fluoro-4-methylsulfonylphenyl)pyrrole
CID 141213908
boric acid;tris(1-(2,5-difluorophenyl)pyrrole);tetrakis(1,2,3,4,5-pentafluoro-6-(2,3,4-trifluoro-5-methylphenyl)benzene)
CID 173225189
1-(2,4-difluorophenyl)pyrrole-2-carboxylic acid
CID 43477034
1-(2,4-difluorophenyl)piperidin-4-ol
CID 10584688
azepan-1-yl-[1-(2,4-difluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 86206810
1,3-bis(2,4-difluorophenyl)-2H-benzimidazole
CID 140808133
3-[1-(2,4-difluorophenyl)pyrrol-2-yl]propan-1-amine
CID 170879072

Frequently Asked Questions

What is the IUPAC name of 1-(2-deuterio-4,6-difluorophenyl)pyrrole?
The IUPAC name of 1-(2-deuterio-4,6-difluorophenyl)pyrrole (CID 175974049) is 1-(2-deuterio-4,6-difluorophenyl)pyrrole.
What is the SMILES notation for 1-(2-deuterio-4,6-difluorophenyl)pyrrole?
The canonical SMILES for 1-(2-deuterio-4,6-difluorophenyl)pyrrole is [2H]c1cc(F)cc(F)c1-n1cccc1.
What is the InChIKey of 1-(2-deuterio-4,6-difluorophenyl)pyrrole?
The InChIKey is ZAZINVQEIDWJRC-QYKNYGDISA-N. The full InChI is InChI=1S/C10H7F2N/c11-8-3-4-10(9(12)7-8)13-5-1-2-6-13/h1-7H/i4D.
What are the key properties of 1-(2-deuterio-4,6-difluorophenyl)pyrrole?
1-(2-deuterio-4,6-difluorophenyl)pyrrole has a molecular weight of 180.18 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-deuterio-4,6-difluorophenyl)pyrrole is sourced from PubChem (CID 175974049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).