4-[1-[2-(difluoromethyl)-4-methylphenyl]ethenyl]thiomorpholine

C14H17F2NS — CID 145068254

IUPAC4-[1-[2-(difluoromethyl)-4-methylphenyl]ethenyl]thiomorpholine
SMILESC=C(c1ccc(C)cc1C(F)F)N1CCSCC1
InChIInChI=1S/C14H17F2NS/c1-10-3-4-12(13(9-10)14(15)16)11(2)17-5-7-18-8-6-17/h3-4,9,14H,2,5-8H2,1H3
InChIKeyCYPPEEJKLHNUGB-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.95
Rot. Bonds3

About 4-[1-[2-(difluoromethyl)-4-methylphenyl]ethenyl]thiomorpholine

4-[1-[2-(difluoromethyl)-4-methylphenyl]ethenyl]thiomorpholine (PubChem CID 145068254) has the molecular formula C14H17F2NS and a molecular weight of 269.36 g/mol. Its IUPAC name is 4-[1-[2-(difluoromethyl)-4-methylphenyl]ethenyl]thiomorpholine.

Molecular Properties

Compound Name4-[1-[2-(difluoromethyl)-4-methylphenyl]ethenyl]thiomorpholine
PubChem CID145068254
Molecular FormulaC14H17F2NS
Molecular Weight269.36 g/mol
Exact Mass269.10
IUPAC Name4-[1-[2-(difluoromethyl)-4-methylphenyl]ethenyl]thiomorpholine
SMILESC=C(c1ccc(C)cc1C(F)F)N1CCSCC1
InChIInChI=1S/C14H17F2NS/c1-10-3-4-12(13(9-10)14(15)16)11(2)17-5-7-18-8-6-17/h3-4,9,14H,2,5-8H2,1H3
InChIKeyCYPPEEJKLHNUGB-UHFFFAOYSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(difluoromethyl)-4-methylphenyl]ethenyl]thiomorpholine?
The IUPAC name of 4-[1-[2-(difluoromethyl)-4-methylphenyl]ethenyl]thiomorpholine (CID 145068254) is 4-[1-[2-(difluoromethyl)-4-methylphenyl]ethenyl]thiomorpholine.
What is the SMILES notation for 4-[1-[2-(difluoromethyl)-4-methylphenyl]ethenyl]thiomorpholine?
The canonical SMILES for 4-[1-[2-(difluoromethyl)-4-methylphenyl]ethenyl]thiomorpholine is C=C(c1ccc(C)cc1C(F)F)N1CCSCC1.
What is the InChIKey of 4-[1-[2-(difluoromethyl)-4-methylphenyl]ethenyl]thiomorpholine?
The InChIKey is CYPPEEJKLHNUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NS/c1-10-3-4-12(13(9-10)14(15)16)11(2)17-5-7-18-8-6-17/h3-4,9,14H,2,5-8H2,1H3.
What are the key properties of 4-[1-[2-(difluoromethyl)-4-methylphenyl]ethenyl]thiomorpholine?
4-[1-[2-(difluoromethyl)-4-methylphenyl]ethenyl]thiomorpholine has a molecular weight of 269.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(difluoromethyl)-4-methylphenyl]ethenyl]thiomorpholine is sourced from PubChem (CID 145068254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).