2-[2-(trifluoromethyl)phenyl]-1,3-dithiane

C11H11F3S2 — CID 162568251

IUPAC2-[2-(trifluoromethyl)phenyl]-1,3-dithiane
SMILESFC(F)(F)c1ccccc1C1SCCCS1
InChIInChI=1S/C11H11F3S2/c12-11(13,14)9-5-2-1-4-8(9)10-15-6-3-7-16-10/h1-2,4-5,10H,3,6-7H2
InChIKeyHZUDRWZTDNHNMH-UHFFFAOYSA-N
MW264.34 g/mol
LogP4.57
Rot. Bonds1

About 2-[2-(trifluoromethyl)phenyl]-1,3-dithiane

2-[2-(trifluoromethyl)phenyl]-1,3-dithiane (PubChem CID 162568251) has the molecular formula C11H11F3S2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]-1,3-dithiane.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]-1,3-dithiane
PubChem CID162568251
Molecular FormulaC11H11F3S2
Molecular Weight264.34 g/mol
Exact Mass264.03
IUPAC Name2-[2-(trifluoromethyl)phenyl]-1,3-dithiane
SMILESFC(F)(F)c1ccccc1C1SCCCS1
InChIInChI=1S/C11H11F3S2/c12-11(13,14)9-5-2-1-4-8(9)10-15-6-3-7-16-10/h1-2,4-5,10H,3,6-7H2
InChIKeyHZUDRWZTDNHNMH-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]-1,3-dithiane?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]-1,3-dithiane (CID 162568251) is 2-[2-(trifluoromethyl)phenyl]-1,3-dithiane.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]-1,3-dithiane?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]-1,3-dithiane is FC(F)(F)c1ccccc1C1SCCCS1.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]-1,3-dithiane?
The InChIKey is HZUDRWZTDNHNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3S2/c12-11(13,14)9-5-2-1-4-8(9)10-15-6-3-7-16-10/h1-2,4-5,10H,3,6-7H2.
What are the key properties of 2-[2-(trifluoromethyl)phenyl]-1,3-dithiane?
2-[2-(trifluoromethyl)phenyl]-1,3-dithiane has a molecular weight of 264.34 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]-1,3-dithiane is sourced from PubChem (CID 162568251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).