ethane;4-[4-methyl-3-(trifluoromethyl)phenyl]thiomorpholine

C14H20F3NS — CID 143518811

IUPACethane;4-[4-methyl-3-(trifluoromethyl)phenyl]thiomorpholine
SMILESCC.Cc1ccc(N2CCSCC2)cc1C(F)(F)F
InChIInChI=1S/C12H14F3NS.C2H6/c1-9-2-3-10(8-11(9)12(13,14)15)16-4-6-17-7-5-16;1-2/h2-3,8H,4-7H2,1H3;1-2H3
InChIKeySFVVHCLMFCLTCV-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.59
Rot. Bonds1

About ethane;4-[4-methyl-3-(trifluoromethyl)phenyl]thiomorpholine

ethane;4-[4-methyl-3-(trifluoromethyl)phenyl]thiomorpholine (PubChem CID 143518811) has the molecular formula C14H20F3NS and a molecular weight of 291.38 g/mol. Its IUPAC name is ethane;4-[4-methyl-3-(trifluoromethyl)phenyl]thiomorpholine.

Molecular Properties

Compound Nameethane;4-[4-methyl-3-(trifluoromethyl)phenyl]thiomorpholine
PubChem CID143518811
Molecular FormulaC14H20F3NS
Molecular Weight291.38 g/mol
Exact Mass291.13
IUPAC Nameethane;4-[4-methyl-3-(trifluoromethyl)phenyl]thiomorpholine
SMILESCC.Cc1ccc(N2CCSCC2)cc1C(F)(F)F
InChIInChI=1S/C12H14F3NS.C2H6/c1-9-2-3-10(8-11(9)12(13,14)15)16-4-6-17-7-5-16;1-2/h2-3,8H,4-7H2,1H3;1-2H3
InChIKeySFVVHCLMFCLTCV-UHFFFAOYSA-N
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-methyl-3-(trifluoromethyl)phenyl]thiomorpholine?
The IUPAC name of ethane;4-[4-methyl-3-(trifluoromethyl)phenyl]thiomorpholine (CID 143518811) is ethane;4-[4-methyl-3-(trifluoromethyl)phenyl]thiomorpholine.
What is the SMILES notation for ethane;4-[4-methyl-3-(trifluoromethyl)phenyl]thiomorpholine?
The canonical SMILES for ethane;4-[4-methyl-3-(trifluoromethyl)phenyl]thiomorpholine is CC.Cc1ccc(N2CCSCC2)cc1C(F)(F)F.
What is the InChIKey of ethane;4-[4-methyl-3-(trifluoromethyl)phenyl]thiomorpholine?
The InChIKey is SFVVHCLMFCLTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NS.C2H6/c1-9-2-3-10(8-11(9)12(13,14)15)16-4-6-17-7-5-16;1-2/h2-3,8H,4-7H2,1H3;1-2H3.
What are the key properties of ethane;4-[4-methyl-3-(trifluoromethyl)phenyl]thiomorpholine?
ethane;4-[4-methyl-3-(trifluoromethyl)phenyl]thiomorpholine has a molecular weight of 291.38 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[4-methyl-3-(trifluoromethyl)phenyl]thiomorpholine is sourced from PubChem (CID 143518811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).