6-(1,1-difluoroethyl)-5-methyl-2,3-dihydro-1,4-oxathiine

C7H10F2OS — CID 59161501

IUPAC6-(1,1-difluoroethyl)-5-methyl-2,3-dihydro-1,4-oxathiine
SMILESCC1=C(C(C)(F)F)OCCS1
InChIInChI=1S/C7H10F2OS/c1-5-6(7(2,8)9)10-3-4-11-5/h3-4H2,1-2H3
InChIKeyNCBLTMBHAMOVPD-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.64
Rot. Bonds1

About 6-(1,1-difluoroethyl)-5-methyl-2,3-dihydro-1,4-oxathiine

6-(1,1-difluoroethyl)-5-methyl-2,3-dihydro-1,4-oxathiine (PubChem CID 59161501) has the molecular formula C7H10F2OS and a molecular weight of 180.22 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-5-methyl-2,3-dihydro-1,4-oxathiine.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-5-methyl-2,3-dihydro-1,4-oxathiine
PubChem CID59161501
Molecular FormulaC7H10F2OS
Molecular Weight180.22 g/mol
Exact Mass180.04
IUPAC Name6-(1,1-difluoroethyl)-5-methyl-2,3-dihydro-1,4-oxathiine
SMILESCC1=C(C(C)(F)F)OCCS1
InChIInChI=1S/C7H10F2OS/c1-5-6(7(2,8)9)10-3-4-11-5/h3-4H2,1-2H3
InChIKeyNCBLTMBHAMOVPD-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-5-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine
CID 22980776
5-Methyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine
CID 22980786
5-Tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine
CID 57709435
5-Ethyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine
CID 68039647
2,5-Dimethyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine
CID 89546509
3,5-Dimethyl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine
CID 89546511
6-(Difluoromethyl)-5-methyl-2,3-dihydro-1,4-oxathiine
CID 89546519
5-Butan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine
CID 143062862
6-Ethyl-5-methyl-2,3-dihydro-1,4-oxathiine
CID 14090506
CID 59376413
CID 59376413
5-Ethyl-6-methyl-2,3-dihydro-1,4-oxathiine
CID 66806177

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-5-methyl-2,3-dihydro-1,4-oxathiine?
The IUPAC name of 6-(1,1-difluoroethyl)-5-methyl-2,3-dihydro-1,4-oxathiine (CID 59161501) is 6-(1,1-difluoroethyl)-5-methyl-2,3-dihydro-1,4-oxathiine.
What is the SMILES notation for 6-(1,1-difluoroethyl)-5-methyl-2,3-dihydro-1,4-oxathiine?
The canonical SMILES for 6-(1,1-difluoroethyl)-5-methyl-2,3-dihydro-1,4-oxathiine is CC1=C(C(C)(F)F)OCCS1.
What is the InChIKey of 6-(1,1-difluoroethyl)-5-methyl-2,3-dihydro-1,4-oxathiine?
The InChIKey is NCBLTMBHAMOVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2OS/c1-5-6(7(2,8)9)10-3-4-11-5/h3-4H2,1-2H3.
What are the key properties of 6-(1,1-difluoroethyl)-5-methyl-2,3-dihydro-1,4-oxathiine?
6-(1,1-difluoroethyl)-5-methyl-2,3-dihydro-1,4-oxathiine has a molecular weight of 180.22 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-5-methyl-2,3-dihydro-1,4-oxathiine is sourced from PubChem (CID 59161501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).