4-(4-tert-butyl-2,6-difluorophenyl)thiomorpholine

C14H19F2NS — CID 146324170

IUPAC4-(4-tert-butyl-2,6-difluorophenyl)thiomorpholine
SMILESCC(C)(C)c1cc(F)c(N2CCSCC2)c(F)c1
InChIInChI=1S/C14H19F2NS/c1-14(2,3)10-8-11(15)13(12(16)9-10)17-4-6-18-7-5-17/h8-9H,4-7H2,1-3H3
InChIKeyKKUKIHFMDNRDIO-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.82
Rot. Bonds1

About 4-(4-tert-butyl-2,6-difluorophenyl)thiomorpholine

4-(4-tert-butyl-2,6-difluorophenyl)thiomorpholine (PubChem CID 146324170) has the molecular formula C14H19F2NS and a molecular weight of 271.38 g/mol. Its IUPAC name is 4-(4-tert-butyl-2,6-difluorophenyl)thiomorpholine.

Molecular Properties

Compound Name4-(4-tert-butyl-2,6-difluorophenyl)thiomorpholine
PubChem CID146324170
Molecular FormulaC14H19F2NS
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name4-(4-tert-butyl-2,6-difluorophenyl)thiomorpholine
SMILESCC(C)(C)c1cc(F)c(N2CCSCC2)c(F)c1
InChIInChI=1S/C14H19F2NS/c1-14(2,3)10-8-11(15)13(12(16)9-10)17-4-6-18-7-5-17/h8-9H,4-7H2,1-3H3
InChIKeyKKUKIHFMDNRDIO-UHFFFAOYSA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2,6-difluorophenyl)thiomorpholine?
The IUPAC name of 4-(4-tert-butyl-2,6-difluorophenyl)thiomorpholine (CID 146324170) is 4-(4-tert-butyl-2,6-difluorophenyl)thiomorpholine.
What is the SMILES notation for 4-(4-tert-butyl-2,6-difluorophenyl)thiomorpholine?
The canonical SMILES for 4-(4-tert-butyl-2,6-difluorophenyl)thiomorpholine is CC(C)(C)c1cc(F)c(N2CCSCC2)c(F)c1.
What is the InChIKey of 4-(4-tert-butyl-2,6-difluorophenyl)thiomorpholine?
The InChIKey is KKUKIHFMDNRDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NS/c1-14(2,3)10-8-11(15)13(12(16)9-10)17-4-6-18-7-5-17/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-(4-tert-butyl-2,6-difluorophenyl)thiomorpholine?
4-(4-tert-butyl-2,6-difluorophenyl)thiomorpholine has a molecular weight of 271.38 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2,6-difluorophenyl)thiomorpholine is sourced from PubChem (CID 146324170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).