2-(9H-fluoren-9-ylmethyl)thiophene

C18H14S — CID 141318789

IUPAC2-(9H-fluoren-9-ylmethyl)thiophene
SMILESc1csc(CC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C18H14S/c1-3-9-16-14(7-1)15-8-2-4-10-17(15)18(16)12-13-6-5-11-19-13/h1-11,18H,12H2
InChIKeyNHWLEEMJLYZYFL-UHFFFAOYSA-N
MW262.38 g/mol
LogP5.10
Rot. Bonds2

About 2-(9H-fluoren-9-ylmethyl)thiophene

2-(9H-fluoren-9-ylmethyl)thiophene (PubChem CID 141318789) has the molecular formula C18H14S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethyl)thiophene.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethyl)thiophene
PubChem CID141318789
Molecular FormulaC18H14S
Molecular Weight262.38 g/mol
Exact Mass262.08
IUPAC Name2-(9H-fluoren-9-ylmethyl)thiophene
SMILESc1csc(CC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C18H14S/c1-3-9-16-14(7-1)15-8-2-4-10-17(15)18(16)12-13-6-5-11-19-13/h1-11,18H,12H2
InChIKeyNHWLEEMJLYZYFL-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.38
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethyl)thiophene?
The IUPAC name of 2-(9H-fluoren-9-ylmethyl)thiophene (CID 141318789) is 2-(9H-fluoren-9-ylmethyl)thiophene.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethyl)thiophene?
The canonical SMILES for 2-(9H-fluoren-9-ylmethyl)thiophene is c1csc(CC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 2-(9H-fluoren-9-ylmethyl)thiophene?
The InChIKey is NHWLEEMJLYZYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14S/c1-3-9-16-14(7-1)15-8-2-4-10-17(15)18(16)12-13-6-5-11-19-13/h1-11,18H,12H2.
What are the key properties of 2-(9H-fluoren-9-ylmethyl)thiophene?
2-(9H-fluoren-9-ylmethyl)thiophene has a molecular weight of 262.38 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethyl)thiophene is sourced from PubChem (CID 141318789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).