2-[4-(difluoromethyl)phenyl]-1,3-thiazinane

C11H13F2NS — CID 115525268

IUPAC2-[4-(difluoromethyl)phenyl]-1,3-thiazinane
SMILESFC(F)c1ccc(C2NCCCS2)cc1
InChIInChI=1S/C11H13F2NS/c12-10(13)8-2-4-9(5-3-8)11-14-6-1-7-15-11/h2-5,10-11,14H,1,6-7H2
InChIKeyMFGDMBMGQTYIDX-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.35
Rot. Bonds2

About 2-[4-(difluoromethyl)phenyl]-1,3-thiazinane

2-[4-(difluoromethyl)phenyl]-1,3-thiazinane (PubChem CID 115525268) has the molecular formula C11H13F2NS and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]-1,3-thiazinane.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]-1,3-thiazinane
PubChem CID115525268
Molecular FormulaC11H13F2NS
Molecular Weight229.30 g/mol
Exact Mass229.07
IUPAC Name2-[4-(difluoromethyl)phenyl]-1,3-thiazinane
SMILESFC(F)c1ccc(C2NCCCS2)cc1
InChIInChI=1S/C11H13F2NS/c12-10(13)8-2-4-9(5-3-8)11-14-6-1-7-15-11/h2-5,10-11,14H,1,6-7H2
InChIKeyMFGDMBMGQTYIDX-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]-1,3-thiazinane?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]-1,3-thiazinane (CID 115525268) is 2-[4-(difluoromethyl)phenyl]-1,3-thiazinane.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]-1,3-thiazinane?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]-1,3-thiazinane is FC(F)c1ccc(C2NCCCS2)cc1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]-1,3-thiazinane?
The InChIKey is MFGDMBMGQTYIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NS/c12-10(13)8-2-4-9(5-3-8)11-14-6-1-7-15-11/h2-5,10-11,14H,1,6-7H2.
What are the key properties of 2-[4-(difluoromethyl)phenyl]-1,3-thiazinane?
2-[4-(difluoromethyl)phenyl]-1,3-thiazinane has a molecular weight of 229.30 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]-1,3-thiazinane is sourced from PubChem (CID 115525268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).