[2-(4-cyano-1H-pyrrol-3-yl)-6-(fluoromethoxy)phenyl] hypofluorite

C12H8F2N2O2 — CID 58804620

IUPAC[2-(4-cyano-1H-pyrrol-3-yl)-6-(fluoromethoxy)phenyl] hypofluorite
SMILESN#Cc1c[nH]cc1-c1cccc(OCF)c1OF
InChIInChI=1S/C12H8F2N2O2/c13-7-17-11-3-1-2-9(12(11)18-14)10-6-16-5-8(10)4-15/h1-3,5-6,16H,7H2
InChIKeyORNHIUXSWPUQFP-UHFFFAOYSA-N
MW250.20 g/mol
LogP3.12
Rot. Bonds4

About [2-(4-cyano-1H-pyrrol-3-yl)-6-(fluoromethoxy)phenyl] hypofluorite

[2-(4-cyano-1H-pyrrol-3-yl)-6-(fluoromethoxy)phenyl] hypofluorite (PubChem CID 58804620) has the molecular formula C12H8F2N2O2 and a molecular weight of 250.20 g/mol. Its IUPAC name is [2-(4-cyano-1H-pyrrol-3-yl)-6-(fluoromethoxy)phenyl] hypofluorite.

Molecular Properties

Compound Name[2-(4-cyano-1H-pyrrol-3-yl)-6-(fluoromethoxy)phenyl] hypofluorite
PubChem CID58804620
Molecular FormulaC12H8F2N2O2
Molecular Weight250.20 g/mol
Exact Mass250.06
IUPAC Name[2-(4-cyano-1H-pyrrol-3-yl)-6-(fluoromethoxy)phenyl] hypofluorite
SMILESN#Cc1c[nH]cc1-c1cccc(OCF)c1OF
InChIInChI=1S/C12H8F2N2O2/c13-7-17-11-3-1-2-9(12(11)18-14)10-6-16-5-8(10)4-15/h1-3,5-6,16H,7H2
InChIKeyORNHIUXSWPUQFP-UHFFFAOYSA-N
XLogP3.12
TPSA58.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Fludioxonil
CID 86398
3-[4-(trifluoromethoxy)phenyl]-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole
CID 162653140
4-[3-(methoxymethoxy)phenyl]-1H-pyrrole-3-carbonitrile
CID 59477748
Fludioxonil hydrate
CID 162787665
3-[(2,5-dimethoxyphenyl)methyl]-1H-pyrrole
CID 11806132
3,4-Bis(3-methoxyphenyl)-1h-pyrrole
CID 12011039
2-(2,3-dimethoxyphenyl)-1H-pyrrole
CID 13154139
2-Amino-4-(3-methoxyphenyl)-1H-pyrrole-3-carbonitrile
CID 18792920
3-(2,5-Dimethoxyphenyl)-1H-pyrrole
CID 71342281
2-(3,4-dimethoxyphenyl)-1H-pyrrole
CID 121605961
CID 123807133
CID 123807133
3,4-Bis(2-methoxyphenyl)-1h-pyrrole
CID 129774386

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyano-1H-pyrrol-3-yl)-6-(fluoromethoxy)phenyl] hypofluorite?
The IUPAC name of [2-(4-cyano-1H-pyrrol-3-yl)-6-(fluoromethoxy)phenyl] hypofluorite (CID 58804620) is [2-(4-cyano-1H-pyrrol-3-yl)-6-(fluoromethoxy)phenyl] hypofluorite.
What is the SMILES notation for [2-(4-cyano-1H-pyrrol-3-yl)-6-(fluoromethoxy)phenyl] hypofluorite?
The canonical SMILES for [2-(4-cyano-1H-pyrrol-3-yl)-6-(fluoromethoxy)phenyl] hypofluorite is N#Cc1c[nH]cc1-c1cccc(OCF)c1OF.
What is the InChIKey of [2-(4-cyano-1H-pyrrol-3-yl)-6-(fluoromethoxy)phenyl] hypofluorite?
The InChIKey is ORNHIUXSWPUQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2/c13-7-17-11-3-1-2-9(12(11)18-14)10-6-16-5-8(10)4-15/h1-3,5-6,16H,7H2.
What are the key properties of [2-(4-cyano-1H-pyrrol-3-yl)-6-(fluoromethoxy)phenyl] hypofluorite?
[2-(4-cyano-1H-pyrrol-3-yl)-6-(fluoromethoxy)phenyl] hypofluorite has a molecular weight of 250.20 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyano-1H-pyrrol-3-yl)-6-(fluoromethoxy)phenyl] hypofluorite is sourced from PubChem (CID 58804620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).