2,3,4-trifluoronaphthalene-1-thiol

C10H5F3S — CID 173178441

IUPAC2,3,4-trifluoronaphthalene-1-thiol
SMILESFc1c(F)c(S)c2ccccc2c1F
InChIInChI=1S/C10H5F3S/c11-7-5-3-1-2-4-6(5)10(14)9(13)8(7)12/h1-4,14H
InChIKeyOGZGNOMXUUMVQL-UHFFFAOYSA-N
MW214.21 g/mol
LogP3.55
Rot. Bonds

About 2,3,4-trifluoronaphthalene-1-thiol

2,3,4-trifluoronaphthalene-1-thiol (PubChem CID 173178441) has the molecular formula C10H5F3S and a molecular weight of 214.21 g/mol. Its IUPAC name is 2,3,4-trifluoronaphthalene-1-thiol.

Molecular Properties

Compound Name2,3,4-trifluoronaphthalene-1-thiol
PubChem CID173178441
Molecular FormulaC10H5F3S
Molecular Weight214.21 g/mol
Exact Mass214.01
IUPAC Name2,3,4-trifluoronaphthalene-1-thiol
SMILESFc1c(F)c(S)c2ccccc2c1F
InChIInChI=1S/C10H5F3S/c11-7-5-3-1-2-4-6(5)10(14)9(13)8(7)12/h1-4,14H
InChIKeyOGZGNOMXUUMVQL-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoronaphthalene-1-thiol?
The IUPAC name of 2,3,4-trifluoronaphthalene-1-thiol (CID 173178441) is 2,3,4-trifluoronaphthalene-1-thiol.
What is the SMILES notation for 2,3,4-trifluoronaphthalene-1-thiol?
The canonical SMILES for 2,3,4-trifluoronaphthalene-1-thiol is Fc1c(F)c(S)c2ccccc2c1F.
What is the InChIKey of 2,3,4-trifluoronaphthalene-1-thiol?
The InChIKey is OGZGNOMXUUMVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3S/c11-7-5-3-1-2-4-6(5)10(14)9(13)8(7)12/h1-4,14H.
What are the key properties of 2,3,4-trifluoronaphthalene-1-thiol?
2,3,4-trifluoronaphthalene-1-thiol has a molecular weight of 214.21 g/mol, XLogP of 3.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoronaphthalene-1-thiol is sourced from PubChem (CID 173178441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).