[4-(fluoromethyl)phenyl]methanethiol

C8H9FS — CID 86184617

IUPAC[4-(fluoromethyl)phenyl]methanethiol
SMILESFCc1ccc(CS)cc1
InChIInChI=1S/C8H9FS/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6H2
InChIKeyFYXMJVUFGQNVMG-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.59
Rot. Bonds2

About [4-(fluoromethyl)phenyl]methanethiol

[4-(fluoromethyl)phenyl]methanethiol (PubChem CID 86184617) has the molecular formula C8H9FS and a molecular weight of 156.22 g/mol. Its IUPAC name is [4-(fluoromethyl)phenyl]methanethiol.

Molecular Properties

Compound Name[4-(fluoromethyl)phenyl]methanethiol
PubChem CID86184617
Molecular FormulaC8H9FS
Molecular Weight156.22 g/mol
Exact Mass156.04
IUPAC Name[4-(fluoromethyl)phenyl]methanethiol
SMILESFCc1ccc(CS)cc1
InChIInChI=1S/C8H9FS/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6H2
InChIKeyFYXMJVUFGQNVMG-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)phenyl]methanethiol?
The IUPAC name of [4-(fluoromethyl)phenyl]methanethiol (CID 86184617) is [4-(fluoromethyl)phenyl]methanethiol.
What is the SMILES notation for [4-(fluoromethyl)phenyl]methanethiol?
The canonical SMILES for [4-(fluoromethyl)phenyl]methanethiol is FCc1ccc(CS)cc1.
What is the InChIKey of [4-(fluoromethyl)phenyl]methanethiol?
The InChIKey is FYXMJVUFGQNVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FS/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6H2.
What are the key properties of [4-(fluoromethyl)phenyl]methanethiol?
[4-(fluoromethyl)phenyl]methanethiol has a molecular weight of 156.22 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)phenyl]methanethiol is sourced from PubChem (CID 86184617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).