2-fluoro-9H-fluorene-1-thiol

C13H9FS — CID 162716411

IUPAC2-fluoro-9H-fluorene-1-thiol
SMILESFc1ccc2c(c1S)Cc1ccccc1-2
InChIInChI=1S/C13H9FS/c14-12-6-5-10-9-4-2-1-3-8(9)7-11(10)13(12)15/h1-6,15H,7H2
InChIKeyYBJFEGARHWRNKF-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.69
Rot. Bonds

About 2-fluoro-9H-fluorene-1-thiol

2-fluoro-9H-fluorene-1-thiol (PubChem CID 162716411) has the molecular formula C13H9FS and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-fluoro-9H-fluorene-1-thiol.

Molecular Properties

Compound Name2-fluoro-9H-fluorene-1-thiol
PubChem CID162716411
Molecular FormulaC13H9FS
Molecular Weight216.28 g/mol
Exact Mass216.04
IUPAC Name2-fluoro-9H-fluorene-1-thiol
SMILESFc1ccc2c(c1S)Cc1ccccc1-2
InChIInChI=1S/C13H9FS/c14-12-6-5-10-9-4-2-1-3-8(9)7-11(10)13(12)15/h1-6,15H,7H2
InChIKeyYBJFEGARHWRNKF-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1-phenyl-9H-fluorene
CID 151671400
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
CID 123562270
CID 123562270
1,2-bis(2-methylphenyl)-9H-fluorene
CID 23369064
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
chromium;9H-fluorene
CID 161167703
9H-fluorene;trihydrofluoride
CID 172854917
4-(2,3,4-trifluorophenyl)-9H-fluorene
CID 174548890
Fluorenylsilane
CID 22104606
CID 175903593
CID 175903593

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-9H-fluorene-1-thiol?
The IUPAC name of 2-fluoro-9H-fluorene-1-thiol (CID 162716411) is 2-fluoro-9H-fluorene-1-thiol.
What is the SMILES notation for 2-fluoro-9H-fluorene-1-thiol?
The canonical SMILES for 2-fluoro-9H-fluorene-1-thiol is Fc1ccc2c(c1S)Cc1ccccc1-2.
What is the InChIKey of 2-fluoro-9H-fluorene-1-thiol?
The InChIKey is YBJFEGARHWRNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FS/c14-12-6-5-10-9-4-2-1-3-8(9)7-11(10)13(12)15/h1-6,15H,7H2.
What are the key properties of 2-fluoro-9H-fluorene-1-thiol?
2-fluoro-9H-fluorene-1-thiol has a molecular weight of 216.28 g/mol, XLogP of 3.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-9H-fluorene-1-thiol is sourced from PubChem (CID 162716411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).