2,2,3,5,5-pentafluorothiophene

C4HF5S — CID 12916666

IUPAC2,2,3,5,5-pentafluorothiophene
SMILESFC1=CC(F)(F)SC1(F)F
InChIInChI=1S/C4HF5S/c5-2-1-3(6,7)10-4(2,8)9/h1H
InChIKeyZVSHUYSLWDYPJT-UHFFFAOYSA-N
MW176.11 g/mol
LogP2.77
Rot. Bonds

About 2,2,3,5,5-pentafluorothiophene

2,2,3,5,5-pentafluorothiophene (PubChem CID 12916666) has the molecular formula C4HF5S and a molecular weight of 176.11 g/mol. Its IUPAC name is 2,2,3,5,5-pentafluorothiophene.

Molecular Properties

Compound Name2,2,3,5,5-pentafluorothiophene
PubChem CID12916666
Molecular FormulaC4HF5S
Molecular Weight176.11 g/mol
Exact Mass175.97
IUPAC Name2,2,3,5,5-pentafluorothiophene
SMILESFC1=CC(F)(F)SC1(F)F
InChIInChI=1S/C4HF5S/c5-2-1-3(6,7)10-4(2,8)9/h1H
InChIKeyZVSHUYSLWDYPJT-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.11
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,3,5,5-pentafluorothiophene 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

1,3,3,5,6,6-hexafluorocyclohexa-1,4-diene
CID 102247779
(4R)-1,3,3,4,5,5-hexafluorocyclopentene
CID 23235244
2,2,5,5-tetrafluorothiophene
CID 12916665
2,2,3,6,6,7-hexafluoronaphthalene
CID 162536554
4-fluoro-4-[(2-fluorophenyl)methyl]thiane
CID 84726026
2,3,4,5-tetrafluorocyclohexa-1,5-diene-1,4-diol
CID 89420440
1,2,3,3,4,5,6,6-octafluorocyclohexa-1,4-diene
CID 12697770
1-[1-[(2-fluorophenyl)methyl]cyclopropyl]-N-methylethanamine
CID 106797552
3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine
CID 84680894
1-bis(3,5-difluorophenyl)phosphanyl-N,N-bis[bis(3,5-difluorophenyl)phosphanylmethyl]methanamine
CID 132563501
1,3,3-trifluorocyclohexa-1,4-diene
CID 23511548
1,3,4,4,5,5,6,6-octafluorocyclohexene
CID 87447762

Frequently Asked Questions

What is the IUPAC name of 2,2,3,5,5-pentafluorothiophene?
The IUPAC name of 2,2,3,5,5-pentafluorothiophene (CID 12916666) is 2,2,3,5,5-pentafluorothiophene.
What is the SMILES notation for 2,2,3,5,5-pentafluorothiophene?
The canonical SMILES for 2,2,3,5,5-pentafluorothiophene is FC1=CC(F)(F)SC1(F)F.
What is the InChIKey of 2,2,3,5,5-pentafluorothiophene?
The InChIKey is ZVSHUYSLWDYPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF5S/c5-2-1-3(6,7)10-4(2,8)9/h1H.
What are the key properties of 2,2,3,5,5-pentafluorothiophene?
2,2,3,5,5-pentafluorothiophene has a molecular weight of 176.11 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5,5-pentafluorothiophene is sourced from PubChem (CID 12916666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).