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

C11H13F2NOS — CID 66217767

IUPAC2-[4-(difluoromethoxy)phenyl]-1,3-thiazinane
SMILESFC(F)Oc1ccc(C2NCCCS2)cc1
InChIInChI=1S/C11H13F2NOS/c12-11(13)15-9-4-2-8(3-5-9)10-14-6-1-7-16-10/h2-5,10-11,14H,1,6-7H2
InChIKeyIJYMCUYOBKGJBE-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.01
Rot. Bonds3

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

2-[4-(difluoromethoxy)phenyl]-1,3-thiazinane (PubChem CID 66217767) has the molecular formula C11H13F2NOS and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-1,3-thiazinane.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-1,3-thiazinane
PubChem CID66217767
Molecular FormulaC11H13F2NOS
Molecular Weight245.29 g/mol
Exact Mass245.07
IUPAC Name2-[4-(difluoromethoxy)phenyl]-1,3-thiazinane
SMILESFC(F)Oc1ccc(C2NCCCS2)cc1
InChIInChI=1S/C11H13F2NOS/c12-11(13)15-9-4-2-8(3-5-9)10-14-6-1-7-16-10/h2-5,10-11,14H,1,6-7H2
InChIKeyIJYMCUYOBKGJBE-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethyl)phenyl]-1,3-thiazinane
CID 115525268
4-(1,3-thiazinan-2-yl)benzonitrile
CID 66218756
3-[4-(difluoromethoxy)phenyl]-7-methyl-1,4-thiazepane
CID 66226934
3-[4-(difluoromethoxy)phenyl]-1,4-thiazepane 1-oxide
CID 66219757
2-naphthalen-2-yl-1,3-thiazinane
CID 66218515
2-(4-chloro-3-fluorophenyl)-1,3-thiazinane
CID 66219496
(2R)-2-(4-fluorophenyl)-1,3-thiazolidine
CID 42544128
(2S)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine
CID 42544290
2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine
CID 18526272
(2R)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine
CID 42544288
3-[4-(difluoromethoxy)phenyl]piperidine
CID 117326655
5-[4-(difluoromethoxy)phenyl]-2-methylthiomorpholine
CID 66243086

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-1,3-thiazinane?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-1,3-thiazinane (CID 66217767) is 2-[4-(difluoromethoxy)phenyl]-1,3-thiazinane.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-1,3-thiazinane?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-1,3-thiazinane is FC(F)Oc1ccc(C2NCCCS2)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-1,3-thiazinane?
The InChIKey is IJYMCUYOBKGJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NOS/c12-11(13)15-9-4-2-8(3-5-9)10-14-6-1-7-16-10/h2-5,10-11,14H,1,6-7H2.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-1,3-thiazinane?
2-[4-(difluoromethoxy)phenyl]-1,3-thiazinane has a molecular weight of 245.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-1,3-thiazinane is sourced from PubChem (CID 66217767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).