1H-pyrrole;1,2,3-trifluorobenzene

C10H8F3N — CID 175102094

IUPAC1H-pyrrole;1,2,3-trifluorobenzene
SMILESFc1cccc(F)c1F.c1cc[nH]c1
InChIInChI=1S/C6H3F3.C4H5N/c7-4-2-1-3-5(8)6(4)9;1-2-4-5-3-1/h1-3H;1-5H
InChIKeySIOYQNKWLMTVSO-UHFFFAOYSA-N
MW199.18 g/mol
LogP3.12
Rot. Bonds

About 1H-pyrrole;1,2,3-trifluorobenzene

1H-pyrrole;1,2,3-trifluorobenzene (PubChem CID 175102094) has the molecular formula C10H8F3N and a molecular weight of 199.18 g/mol. Its IUPAC name is 1H-pyrrole;1,2,3-trifluorobenzene.

Molecular Properties

Compound Name1H-pyrrole;1,2,3-trifluorobenzene
PubChem CID175102094
Molecular FormulaC10H8F3N
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name1H-pyrrole;1,2,3-trifluorobenzene
SMILESFc1cccc(F)c1F.c1cc[nH]c1
InChIInChI=1S/C6H3F3.C4H5N/c7-4-2-1-3-5(8)6(4)9;1-2-4-5-3-1/h1-3H;1-5H
InChIKeySIOYQNKWLMTVSO-UHFFFAOYSA-N
XLogP3.12
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1H-pyrrole;1,2,3-trifluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;1H-pyrrole;1,2,3,4-tetrafluorobenzene
CID 175290813
1,2,3-trifluorobenzene
CID 15147
1H-pyrrole;tris(2,3,6-trifluorophenyl) borate
CID 172826277
(2,3-difluorophenyl)methanamine
CID 2736941
4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one
CID 118852455
1-[bromo(difluoro)methyl]-2,3-difluorobenzene
CID 68872760
1,2-difluoro-3-(iodomethyl)benzene
CID 64789130
1-chloro-2,3-difluorobenzene
CID 157449386
1,2-difluoro-3-methylbenzene;vanadium
CID 170603843
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
1H-pyrrole;tungsten
CID 160750537
iridium(3+);tris(1H-pyrrole)
CID 175787934

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole;1,2,3-trifluorobenzene?
The IUPAC name of 1H-pyrrole;1,2,3-trifluorobenzene (CID 175102094) is 1H-pyrrole;1,2,3-trifluorobenzene.
What is the SMILES notation for 1H-pyrrole;1,2,3-trifluorobenzene?
The canonical SMILES for 1H-pyrrole;1,2,3-trifluorobenzene is Fc1cccc(F)c1F.c1cc[nH]c1.
What is the InChIKey of 1H-pyrrole;1,2,3-trifluorobenzene?
The InChIKey is SIOYQNKWLMTVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3.C4H5N/c7-4-2-1-3-5(8)6(4)9;1-2-4-5-3-1/h1-3H;1-5H.
What are the key properties of 1H-pyrrole;1,2,3-trifluorobenzene?
1H-pyrrole;1,2,3-trifluorobenzene has a molecular weight of 199.18 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole;1,2,3-trifluorobenzene is sourced from PubChem (CID 175102094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).