methane;1H-pyrrole;1,2,3,4-tetrafluorobenzene

C11H11F4N — CID 175290813

IUPACmethane;1H-pyrrole;1,2,3,4-tetrafluorobenzene
SMILESC.Fc1ccc(F)c(F)c1F.c1cc[nH]c1
InChIInChI=1S/C6H2F4.C4H5N.CH4/c7-3-1-2-4(8)6(10)5(3)9;1-2-4-5-3-1;/h1-2H;1-5H;1H4
InChIKeyGGLVSRATTQQVKQ-UHFFFAOYSA-N
MW233.21 g/mol
LogP3.89
Rot. Bonds

About methane;1H-pyrrole;1,2,3,4-tetrafluorobenzene

methane;1H-pyrrole;1,2,3,4-tetrafluorobenzene (PubChem CID 175290813) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is methane;1H-pyrrole;1,2,3,4-tetrafluorobenzene.

Molecular Properties

Compound Namemethane;1H-pyrrole;1,2,3,4-tetrafluorobenzene
PubChem CID175290813
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Namemethane;1H-pyrrole;1,2,3,4-tetrafluorobenzene
SMILESC.Fc1ccc(F)c(F)c1F.c1cc[nH]c1
InChIInChI=1S/C6H2F4.C4H5N.CH4/c7-3-1-2-4(8)6(10)5(3)9;1-2-4-5-3-1;/h1-2H;1-5H;1H4
InChIKeyGGLVSRATTQQVKQ-UHFFFAOYSA-N
XLogP3.89
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1H-pyrrole;1,2,3-trifluorobenzene
CID 175102094
1H-pyrrole;tris(2,3,6-trifluorophenyl) borate
CID 172826277
iridium(3+);tris(1H-pyrrole)
CID 175787934
1H-pyrrole;tungsten
CID 160750537
methane;1-methylpiperazine;1,2,3,4-tetrafluorobenzene
CID 174760536
1,2,3-trifluorobenzene
CID 15147
1,2,3-trifluoro-4-[2-(2,3,4-trifluorophenyl)phenyl]benzene
CID 123622255
phosphane;1H-pyrrole;hydrobromide
CID 174779727
acetylene;1H-pyrrole
CID 22564394
(2,3,4-trifluorophenyl)methylphosphane
CID 21095838
CID 87257465
CID 87257465
1,2,3-trifluoro-4-iodobenzene
CID 2779253

Frequently Asked Questions

What is the IUPAC name of methane;1H-pyrrole;1,2,3,4-tetrafluorobenzene?
The IUPAC name of methane;1H-pyrrole;1,2,3,4-tetrafluorobenzene (CID 175290813) is methane;1H-pyrrole;1,2,3,4-tetrafluorobenzene.
What is the SMILES notation for methane;1H-pyrrole;1,2,3,4-tetrafluorobenzene?
The canonical SMILES for methane;1H-pyrrole;1,2,3,4-tetrafluorobenzene is C.Fc1ccc(F)c(F)c1F.c1cc[nH]c1.
What is the InChIKey of methane;1H-pyrrole;1,2,3,4-tetrafluorobenzene?
The InChIKey is GGLVSRATTQQVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F4.C4H5N.CH4/c7-3-1-2-4(8)6(10)5(3)9;1-2-4-5-3-1;/h1-2H;1-5H;1H4.
What are the key properties of methane;1H-pyrrole;1,2,3,4-tetrafluorobenzene?
methane;1H-pyrrole;1,2,3,4-tetrafluorobenzene has a molecular weight of 233.21 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1H-pyrrole;1,2,3,4-tetrafluorobenzene is sourced from PubChem (CID 175290813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).