2,4,7-trifluoro-5-methylfluorene-9-thione

C14H7F3S — CID 19874672

IUPAC2,4,7-trifluoro-5-methylfluorene-9-thione
SMILESCc1cc(F)cc2c1-c1c(F)cc(F)cc1C2=S
InChIInChI=1S/C14H7F3S/c1-6-2-7(15)3-9-12(6)13-10(14(9)18)4-8(16)5-11(13)17/h2-5H,1H3
InChIKeyNEIWAGCOLUKYPO-UHFFFAOYSA-N
MW264.27 g/mol
LogP4.16
Rot. Bonds

About 2,4,7-trifluoro-5-methylfluorene-9-thione

2,4,7-trifluoro-5-methylfluorene-9-thione (PubChem CID 19874672) has the molecular formula C14H7F3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 2,4,7-trifluoro-5-methylfluorene-9-thione.

Molecular Properties

Compound Name2,4,7-trifluoro-5-methylfluorene-9-thione
PubChem CID19874672
Molecular FormulaC14H7F3S
Molecular Weight264.27 g/mol
Exact Mass264.02
IUPAC Name2,4,7-trifluoro-5-methylfluorene-9-thione
SMILESCc1cc(F)cc2c1-c1c(F)cc(F)cc1C2=S
InChIInChI=1S/C14H7F3S/c1-6-2-7(15)3-9-12(6)13-10(14(9)18)4-8(16)5-11(13)17/h2-5H,1H3
InChIKeyNEIWAGCOLUKYPO-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2,4,7-trifluoro-5-methylfluorene-9-thione 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

4-methyl-3-(2,4,6-trifluorophenyl)-1H-1,2,4-triazole-5-thione
CID 115389387
2-(1-ethylcyclopropyl)-1,5-difluoro-3-methylbenzene
CID 176962607
2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene
CID 91665782
2,4-difluoro-1-methylbenzene;hydrobromide
CID 174767043
5-fluoro-2-(4-fluoro-2,6-dimethylphenyl)aniline
CID 107627301
3-methyl-5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazole
CID 146811154
ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
CID 143449254
ethane;2-ethyl-1,5-difluoro-3-methylbenzene
CID 142885639
2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)benzimidazole
CID 170293570
4-propyl-3-(2,4,6-trifluorophenyl)-1H-1,2,4-triazole-5-thione
CID 113300041
3-fluoro-4-(4-fluoro-2,6-dimethylphenyl)benzoic acid
CID 106879243
O-ethyl (2,5,7-trifluoro-9-oxofluoren-4-yl)sulfanylmethanethioate
CID 15037285

Frequently Asked Questions

What is the IUPAC name of 2,4,7-trifluoro-5-methylfluorene-9-thione?
The IUPAC name of 2,4,7-trifluoro-5-methylfluorene-9-thione (CID 19874672) is 2,4,7-trifluoro-5-methylfluorene-9-thione.
What is the SMILES notation for 2,4,7-trifluoro-5-methylfluorene-9-thione?
The canonical SMILES for 2,4,7-trifluoro-5-methylfluorene-9-thione is Cc1cc(F)cc2c1-c1c(F)cc(F)cc1C2=S.
What is the InChIKey of 2,4,7-trifluoro-5-methylfluorene-9-thione?
The InChIKey is NEIWAGCOLUKYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3S/c1-6-2-7(15)3-9-12(6)13-10(14(9)18)4-8(16)5-11(13)17/h2-5H,1H3.
What are the key properties of 2,4,7-trifluoro-5-methylfluorene-9-thione?
2,4,7-trifluoro-5-methylfluorene-9-thione has a molecular weight of 264.27 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trifluoro-5-methylfluorene-9-thione is sourced from PubChem (CID 19874672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).