2,2-difluoropropyl 2-thiomorpholin-4-ylcyclohexane-1-carboxylate

C14H23F2NO2S — CID 70848239

IUPAC2,2-difluoropropyl 2-thiomorpholin-4-ylcyclohexane-1-carboxylate
SMILESCC(F)(F)COC(=O)C1CCCCC1N1CCSCC1
InChIInChI=1S/C14H23F2NO2S/c1-14(15,16)10-19-13(18)11-4-2-3-5-12(11)17-6-8-20-9-7-17/h11-12H,2-10H2,1H3
InChIKeyJQNNQVZZYRJTRL-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.79
Rot. Bonds4

About 2,2-difluoropropyl 2-thiomorpholin-4-ylcyclohexane-1-carboxylate

2,2-difluoropropyl 2-thiomorpholin-4-ylcyclohexane-1-carboxylate (PubChem CID 70848239) has the molecular formula C14H23F2NO2S and a molecular weight of 307.41 g/mol. Its IUPAC name is 2,2-difluoropropyl 2-thiomorpholin-4-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2,2-difluoropropyl 2-thiomorpholin-4-ylcyclohexane-1-carboxylate
PubChem CID70848239
Molecular FormulaC14H23F2NO2S
Molecular Weight307.41 g/mol
Exact Mass307.14
IUPAC Name2,2-difluoropropyl 2-thiomorpholin-4-ylcyclohexane-1-carboxylate
SMILESCC(F)(F)COC(=O)C1CCCCC1N1CCSCC1
InChIInChI=1S/C14H23F2NO2S/c1-14(15,16)10-19-13(18)11-4-2-3-5-12(11)17-6-8-20-9-7-17/h11-12H,2-10H2,1H3
InChIKeyJQNNQVZZYRJTRL-UHFFFAOYSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropyl 2-thiomorpholin-4-ylcyclohexane-1-carboxylate?
The IUPAC name of 2,2-difluoropropyl 2-thiomorpholin-4-ylcyclohexane-1-carboxylate (CID 70848239) is 2,2-difluoropropyl 2-thiomorpholin-4-ylcyclohexane-1-carboxylate.
What is the SMILES notation for 2,2-difluoropropyl 2-thiomorpholin-4-ylcyclohexane-1-carboxylate?
The canonical SMILES for 2,2-difluoropropyl 2-thiomorpholin-4-ylcyclohexane-1-carboxylate is CC(F)(F)COC(=O)C1CCCCC1N1CCSCC1.
What is the InChIKey of 2,2-difluoropropyl 2-thiomorpholin-4-ylcyclohexane-1-carboxylate?
The InChIKey is JQNNQVZZYRJTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO2S/c1-14(15,16)10-19-13(18)11-4-2-3-5-12(11)17-6-8-20-9-7-17/h11-12H,2-10H2,1H3.
What are the key properties of 2,2-difluoropropyl 2-thiomorpholin-4-ylcyclohexane-1-carboxylate?
2,2-difluoropropyl 2-thiomorpholin-4-ylcyclohexane-1-carboxylate has a molecular weight of 307.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropyl 2-thiomorpholin-4-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 70848239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).