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

C6H7F3OS — CID 22980776

IUPAC6-methyl-5-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine
SMILESCC1=C(C(F)(F)F)SCCO1
InChIInChI=1S/C6H7F3OS/c1-4-5(6(7,8)9)11-3-2-10-4/h2-3H2,1H3
InChIKeyNSFHJMKIJMPOGM-UHFFFAOYSA-N
MW184.18 g/mol
LogP2.54
Rot. Bonds

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

6-methyl-5-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine (PubChem CID 22980776) has the molecular formula C6H7F3OS and a molecular weight of 184.18 g/mol. Its IUPAC name is 6-methyl-5-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine.

Molecular Properties

Compound Name6-methyl-5-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine
PubChem CID22980776
Molecular FormulaC6H7F3OS
Molecular Weight184.18 g/mol
Exact Mass184.02
IUPAC Name6-methyl-5-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine
SMILESCC1=C(C(F)(F)F)SCCO1
InChIInChI=1S/C6H7F3OS/c1-4-5(6(7,8)9)11-3-2-10-4/h2-3H2,1H3
InChIKeyNSFHJMKIJMPOGM-UHFFFAOYSA-N
XLogP2.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine?
The IUPAC name of 6-methyl-5-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine (CID 22980776) is 6-methyl-5-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine.
What is the SMILES notation for 6-methyl-5-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine?
The canonical SMILES for 6-methyl-5-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine is CC1=C(C(F)(F)F)SCCO1.
What is the InChIKey of 6-methyl-5-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine?
The InChIKey is NSFHJMKIJMPOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3OS/c1-4-5(6(7,8)9)11-3-2-10-4/h2-3H2,1H3.
What are the key properties of 6-methyl-5-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine?
6-methyl-5-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine has a molecular weight of 184.18 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine is sourced from PubChem (CID 22980776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).