3-(difluoromethyl)-1-phenylpyrrole

C11H9F2N — CID 154398357

IUPAC3-(difluoromethyl)-1-phenylpyrrole
SMILESFC(F)c1ccn(-c2ccccc2)c1
InChIInChI=1S/C11H9F2N/c12-11(13)9-6-7-14(8-9)10-4-2-1-3-5-10/h1-8,11H
InChIKeySSDSTBQTGIRZKA-UHFFFAOYSA-N
MW193.20 g/mol
LogP3.41
Rot. Bonds2

About 3-(difluoromethyl)-1-phenylpyrrole

3-(difluoromethyl)-1-phenylpyrrole (PubChem CID 154398357) has the molecular formula C11H9F2N and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-phenylpyrrole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-phenylpyrrole
PubChem CID154398357
Molecular FormulaC11H9F2N
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3-(difluoromethyl)-1-phenylpyrrole
SMILESFC(F)c1ccn(-c2ccccc2)c1
InChIInChI=1S/C11H9F2N/c12-11(13)9-6-7-14(8-9)10-4-2-1-3-5-10/h1-8,11H
InChIKeySSDSTBQTGIRZKA-UHFFFAOYSA-N
XLogP3.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[fluoro(fluoro)methyl]benzene
CID 146164458
3-tert-butyl-1-phenylpyrrole
CID 154132492
3-methoxy-1-phenylpyrrole
CID 5324681
3-(bromomethyl)-1-phenylpyrrole
CID 139944269
3-ethyl-1-phenylpyrrole
CID 21279644
1-phenylpyrrole-3-sulfonamide
CID 70874971
1-phenyl-4-[(1-phenylpyrrol-3-yl)methyl]piperazine
CID 10567507
3-pentyl-1-phenylpyrrole
CID 177458956
2-phenylphenanthro[9,10-c]pyrrole
CID 150501713
(1-phenylpyrrol-3-yl) acetate
CID 174955696
1-(4-benzhydrylphenyl)pyrrole
CID 155934324
3-(2-fluoroethyl)-1-(1-phenylpyrrol-3-yl)-1,2,4-triazole
CID 58621035

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-phenylpyrrole?
The IUPAC name of 3-(difluoromethyl)-1-phenylpyrrole (CID 154398357) is 3-(difluoromethyl)-1-phenylpyrrole.
What is the SMILES notation for 3-(difluoromethyl)-1-phenylpyrrole?
The canonical SMILES for 3-(difluoromethyl)-1-phenylpyrrole is FC(F)c1ccn(-c2ccccc2)c1.
What is the InChIKey of 3-(difluoromethyl)-1-phenylpyrrole?
The InChIKey is SSDSTBQTGIRZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N/c12-11(13)9-6-7-14(8-9)10-4-2-1-3-5-10/h1-8,11H.
What are the key properties of 3-(difluoromethyl)-1-phenylpyrrole?
3-(difluoromethyl)-1-phenylpyrrole has a molecular weight of 193.20 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-phenylpyrrole is sourced from PubChem (CID 154398357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).