[4-[4-(3-methylpentan-3-yl)phenyl]phenyl] thiohypofluorite

C18H21FS — CID 134256589

IUPAC[4-[4-(3-methylpentan-3-yl)phenyl]phenyl] thiohypofluorite
SMILESCCC(C)(CC)c1ccc(-c2ccc(SF)cc2)cc1
InChIInChI=1S/C18H21FS/c1-4-18(3,5-2)16-10-6-14(7-11-16)15-8-12-17(20-19)13-9-15/h6-13H,4-5H2,1-3H3
InChIKeyIYRAEKHBCFKPOS-UHFFFAOYSA-N
MW288.43 g/mol
LogP6.41
Rot. Bonds5

About [4-[4-(3-methylpentan-3-yl)phenyl]phenyl] thiohypofluorite

[4-[4-(3-methylpentan-3-yl)phenyl]phenyl] thiohypofluorite (PubChem CID 134256589) has the molecular formula C18H21FS and a molecular weight of 288.43 g/mol. Its IUPAC name is [4-[4-(3-methylpentan-3-yl)phenyl]phenyl] thiohypofluorite.

Molecular Properties

Compound Name[4-[4-(3-methylpentan-3-yl)phenyl]phenyl] thiohypofluorite
PubChem CID134256589
Molecular FormulaC18H21FS
Molecular Weight288.43 g/mol
Exact Mass288.13
IUPAC Name[4-[4-(3-methylpentan-3-yl)phenyl]phenyl] thiohypofluorite
SMILESCCC(C)(CC)c1ccc(-c2ccc(SF)cc2)cc1
InChIInChI=1S/C18H21FS/c1-4-18(3,5-2)16-10-6-14(7-11-16)15-8-12-17(20-19)13-9-15/h6-13H,4-5H2,1-3H3
InChIKeyIYRAEKHBCFKPOS-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [4-[4-(3-methylpentan-3-yl)phenyl]phenyl] thiohypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-methylpentan-3-yl)phenyl]phenyl] thiohypofluorite?
The IUPAC name of [4-[4-(3-methylpentan-3-yl)phenyl]phenyl] thiohypofluorite (CID 134256589) is [4-[4-(3-methylpentan-3-yl)phenyl]phenyl] thiohypofluorite.
What is the SMILES notation for [4-[4-(3-methylpentan-3-yl)phenyl]phenyl] thiohypofluorite?
The canonical SMILES for [4-[4-(3-methylpentan-3-yl)phenyl]phenyl] thiohypofluorite is CCC(C)(CC)c1ccc(-c2ccc(SF)cc2)cc1.
What is the InChIKey of [4-[4-(3-methylpentan-3-yl)phenyl]phenyl] thiohypofluorite?
The InChIKey is IYRAEKHBCFKPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FS/c1-4-18(3,5-2)16-10-6-14(7-11-16)15-8-12-17(20-19)13-9-15/h6-13H,4-5H2,1-3H3.
What are the key properties of [4-[4-(3-methylpentan-3-yl)phenyl]phenyl] thiohypofluorite?
[4-[4-(3-methylpentan-3-yl)phenyl]phenyl] thiohypofluorite has a molecular weight of 288.43 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-methylpentan-3-yl)phenyl]phenyl] thiohypofluorite is sourced from PubChem (CID 134256589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).