3-methyl-4-(3,3,3-trifluoropropyl)thiomorpholine

C8H14F3NS — CID 127349536

IUPAC3-methyl-4-(3,3,3-trifluoropropyl)thiomorpholine
SMILESCC1CSCCN1CCC(F)(F)F
InChIInChI=1S/C8H14F3NS/c1-7-6-13-5-4-12(7)3-2-8(9,10)11/h7H,2-6H2,1H3
InChIKeyOWBPWUFIQBLVQL-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.38
Rot. Bonds2

About 3-methyl-4-(3,3,3-trifluoropropyl)thiomorpholine

3-methyl-4-(3,3,3-trifluoropropyl)thiomorpholine (PubChem CID 127349536) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is 3-methyl-4-(3,3,3-trifluoropropyl)thiomorpholine.

Molecular Properties

Compound Name3-methyl-4-(3,3,3-trifluoropropyl)thiomorpholine
PubChem CID127349536
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC Name3-methyl-4-(3,3,3-trifluoropropyl)thiomorpholine
SMILESCC1CSCCN1CCC(F)(F)F
InChIInChI=1S/C8H14F3NS/c1-7-6-13-5-4-12(7)3-2-8(9,10)11/h7H,2-6H2,1H3
InChIKeyOWBPWUFIQBLVQL-UHFFFAOYSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3,3,3-trifluoropropyl)thiomorpholine?
The IUPAC name of 3-methyl-4-(3,3,3-trifluoropropyl)thiomorpholine (CID 127349536) is 3-methyl-4-(3,3,3-trifluoropropyl)thiomorpholine.
What is the SMILES notation for 3-methyl-4-(3,3,3-trifluoropropyl)thiomorpholine?
The canonical SMILES for 3-methyl-4-(3,3,3-trifluoropropyl)thiomorpholine is CC1CSCCN1CCC(F)(F)F.
What is the InChIKey of 3-methyl-4-(3,3,3-trifluoropropyl)thiomorpholine?
The InChIKey is OWBPWUFIQBLVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c1-7-6-13-5-4-12(7)3-2-8(9,10)11/h7H,2-6H2,1H3.
What are the key properties of 3-methyl-4-(3,3,3-trifluoropropyl)thiomorpholine?
3-methyl-4-(3,3,3-trifluoropropyl)thiomorpholine has a molecular weight of 213.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3,3,3-trifluoropropyl)thiomorpholine is sourced from PubChem (CID 127349536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).