cyclopropyl-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]methanone

C15H13F2NO — CID 79097333

IUPACcyclopropyl-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]methanone
SMILESO=C(c1ccn(Cc2ccc(F)cc2F)c1)C1CC1
InChIInChI=1S/C15H13F2NO/c16-13-4-3-11(14(17)7-13)8-18-6-5-12(9-18)15(19)10-1-2-10/h3-7,9-10H,1-2,8H2
InChIKeyCCZMCWVLDBEKGX-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.41
Rot. Bonds4

About cyclopropyl-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]methanone

cyclopropyl-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]methanone (PubChem CID 79097333) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is cyclopropyl-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]methanone
PubChem CID79097333
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Namecyclopropyl-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]methanone
SMILESO=C(c1ccn(Cc2ccc(F)cc2F)c1)C1CC1
InChIInChI=1S/C15H13F2NO/c16-13-4-3-11(14(17)7-13)8-18-6-5-12(9-18)15(19)10-1-2-10/h3-7,9-10H,1-2,8H2
InChIKeyCCZMCWVLDBEKGX-UHFFFAOYSA-N
XLogP3.41
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]methanone (CID 79097333) is cyclopropyl-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]methanone is O=C(c1ccn(Cc2ccc(F)cc2F)c1)C1CC1.
What is the InChIKey of cyclopropyl-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]methanone?
The InChIKey is CCZMCWVLDBEKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c16-13-4-3-11(14(17)7-13)8-18-6-5-12(9-18)15(19)10-1-2-10/h3-7,9-10H,1-2,8H2.
What are the key properties of cyclopropyl-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]methanone?
cyclopropyl-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]methanone has a molecular weight of 261.27 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]methanone is sourced from PubChem (CID 79097333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).