(2,6-difluorophenyl)-(1H-pyrrol-3-yl)methanone

C11H7F2NO — CID 63750336

IUPAC(2,6-difluorophenyl)-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)c1c(F)cccc1F
InChIInChI=1S/C11H7F2NO/c12-8-2-1-3-9(13)10(8)11(15)7-4-5-14-6-7/h1-6,14H
InChIKeyKJZLIMSOMJCDLI-UHFFFAOYSA-N
MW207.18 g/mol
LogP2.52
Rot. Bonds2

About (2,6-difluorophenyl)-(1H-pyrrol-3-yl)methanone

(2,6-difluorophenyl)-(1H-pyrrol-3-yl)methanone (PubChem CID 63750336) has the molecular formula C11H7F2NO and a molecular weight of 207.18 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(1H-pyrrol-3-yl)methanone
PubChem CID63750336
Molecular FormulaC11H7F2NO
Molecular Weight207.18 g/mol
Exact Mass207.05
IUPAC Name(2,6-difluorophenyl)-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)c1c(F)cccc1F
InChIInChI=1S/C11H7F2NO/c12-8-2-1-3-9(13)10(8)11(15)7-4-5-14-6-7/h1-6,14H
InChIKeyKJZLIMSOMJCDLI-UHFFFAOYSA-N
XLogP2.52
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(1H-pyrrol-3-yl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(1H-pyrrol-3-yl)methanone (CID 63750336) is (2,6-difluorophenyl)-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(1H-pyrrol-3-yl)methanone is O=C(c1cc[nH]c1)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-(1H-pyrrol-3-yl)methanone?
The InChIKey is KJZLIMSOMJCDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO/c12-8-2-1-3-9(13)10(8)11(15)7-4-5-14-6-7/h1-6,14H.
What are the key properties of (2,6-difluorophenyl)-(1H-pyrrol-3-yl)methanone?
(2,6-difluorophenyl)-(1H-pyrrol-3-yl)methanone has a molecular weight of 207.18 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 63750336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).