4-[2-(2,2-difluoropropoxy)cyclohexyl]thiomorpholine

C13H23F2NOS — CID 70848270

IUPAC4-[2-(2,2-difluoropropoxy)cyclohexyl]thiomorpholine
SMILESCC(F)(F)COC1CCCCC1N1CCSCC1
InChIInChI=1S/C13H23F2NOS/c1-13(14,15)10-17-12-5-3-2-4-11(12)16-6-8-18-9-7-16/h11-12H,2-10H2,1H3
InChIKeyDLEPRJSOYWHCJN-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.02
Rot. Bonds4

About 4-[2-(2,2-difluoropropoxy)cyclohexyl]thiomorpholine

4-[2-(2,2-difluoropropoxy)cyclohexyl]thiomorpholine (PubChem CID 70848270) has the molecular formula C13H23F2NOS and a molecular weight of 279.40 g/mol. Its IUPAC name is 4-[2-(2,2-difluoropropoxy)cyclohexyl]thiomorpholine.

Molecular Properties

Compound Name4-[2-(2,2-difluoropropoxy)cyclohexyl]thiomorpholine
PubChem CID70848270
Molecular FormulaC13H23F2NOS
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC Name4-[2-(2,2-difluoropropoxy)cyclohexyl]thiomorpholine
SMILESCC(F)(F)COC1CCCCC1N1CCSCC1
InChIInChI=1S/C13H23F2NOS/c1-13(14,15)10-17-12-5-3-2-4-11(12)16-6-8-18-9-7-16/h11-12H,2-10H2,1H3
InChIKeyDLEPRJSOYWHCJN-UHFFFAOYSA-N
XLogP3.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-difluoropropoxy)cyclohexyl]thiomorpholine?
The IUPAC name of 4-[2-(2,2-difluoropropoxy)cyclohexyl]thiomorpholine (CID 70848270) is 4-[2-(2,2-difluoropropoxy)cyclohexyl]thiomorpholine.
What is the SMILES notation for 4-[2-(2,2-difluoropropoxy)cyclohexyl]thiomorpholine?
The canonical SMILES for 4-[2-(2,2-difluoropropoxy)cyclohexyl]thiomorpholine is CC(F)(F)COC1CCCCC1N1CCSCC1.
What is the InChIKey of 4-[2-(2,2-difluoropropoxy)cyclohexyl]thiomorpholine?
The InChIKey is DLEPRJSOYWHCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NOS/c1-13(14,15)10-17-12-5-3-2-4-11(12)16-6-8-18-9-7-16/h11-12H,2-10H2,1H3.
What are the key properties of 4-[2-(2,2-difluoropropoxy)cyclohexyl]thiomorpholine?
4-[2-(2,2-difluoropropoxy)cyclohexyl]thiomorpholine has a molecular weight of 279.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-difluoropropoxy)cyclohexyl]thiomorpholine is sourced from PubChem (CID 70848270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).