pentafluoro-(6-phenylmethoxy-3-pyridinyl)-λ6-sulfane

C12H10F5NOS — CID 132571637

IUPACpentafluoro-(6-phenylmethoxy-3-pyridinyl)-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C12H10F5NOS/c13-20(14,15,16,17)11-6-7-12(18-8-11)19-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyPFRVCKICLFLOAR-UHFFFAOYSA-N
MW311.28 g/mol
LogP5.32
Rot. Bonds4

About pentafluoro-(6-phenylmethoxy-3-pyridinyl)-λ6-sulfane

pentafluoro-(6-phenylmethoxy-3-pyridinyl)-λ6-sulfane (PubChem CID 132571637) has the molecular formula C12H10F5NOS and a molecular weight of 311.28 g/mol. Its IUPAC name is pentafluoro-(6-phenylmethoxy-3-pyridinyl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-(6-phenylmethoxy-3-pyridinyl)-λ6-sulfane
PubChem CID132571637
Molecular FormulaC12H10F5NOS
Molecular Weight311.28 g/mol
Exact Mass311.04
IUPAC Namepentafluoro-(6-phenylmethoxy-3-pyridinyl)-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C12H10F5NOS/c13-20(14,15,16,17)11-6-7-12(18-8-11)19-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyPFRVCKICLFLOAR-UHFFFAOYSA-N
XLogP5.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.28
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze pentafluoro-(6-phenylmethoxy-3-pyridinyl)-λ6-sulfane 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

3,6-bis(phenylmethoxy)pyridazine
CID 68982842
6-phenylmethoxypyridine-3-carbaldehyde
CID 21102205
N-[[4-(pentafluoro-λ6-sulfanyl)phenyl]methyl]-5-phenylmethoxypyrazine-2-carboxamide
CID 167756159
ethyl-dimethyl-(6-phenylmethoxy-3-pyridinyl)silane
CID 139820510
2-methyl-5-phenylmethoxypyrazine
CID 129054090
2-bromo-5-phenylmethoxypyrazine
CID 46738200
1-(6-phenylmethoxy-3-pyridinyl)propan-2-amine
CID 71131754
N-[2-(6-phenylmethoxy-3-pyridinyl)ethylidene]hydroxylamine
CID 123279299
5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine
CID 141304726
2-ethyl-5-phenylmethoxypyrazine
CID 144823706
5-(2-nitroethenyl)-2-phenylmethoxypyridine
CID 66707987
2-fluoro-6-phenylmethoxypyridin-3-ol
CID 125115954

Frequently Asked Questions

What is the IUPAC name of pentafluoro-(6-phenylmethoxy-3-pyridinyl)-λ6-sulfane?
The IUPAC name of pentafluoro-(6-phenylmethoxy-3-pyridinyl)-λ6-sulfane (CID 132571637) is pentafluoro-(6-phenylmethoxy-3-pyridinyl)-λ6-sulfane.
What is the SMILES notation for pentafluoro-(6-phenylmethoxy-3-pyridinyl)-λ6-sulfane?
The canonical SMILES for pentafluoro-(6-phenylmethoxy-3-pyridinyl)-λ6-sulfane is FS(F)(F)(F)(F)c1ccc(OCc2ccccc2)nc1.
What is the InChIKey of pentafluoro-(6-phenylmethoxy-3-pyridinyl)-λ6-sulfane?
The InChIKey is PFRVCKICLFLOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F5NOS/c13-20(14,15,16,17)11-6-7-12(18-8-11)19-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of pentafluoro-(6-phenylmethoxy-3-pyridinyl)-λ6-sulfane?
pentafluoro-(6-phenylmethoxy-3-pyridinyl)-λ6-sulfane has a molecular weight of 311.28 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-(6-phenylmethoxy-3-pyridinyl)-λ6-sulfane is sourced from PubChem (CID 132571637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).