4-(3-fluoropropyl)thiomorpholine-3-carboxylic acid

C8H14FNO2S — CID 82909465

IUPAC4-(3-fluoropropyl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1CCCF
InChIInChI=1S/C8H14FNO2S/c9-2-1-3-10-4-5-13-6-7(10)8(11)12/h7H,1-6H2,(H,11,12)
InChIKeyGZLQUTXGSYISHQ-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.85
Rot. Bonds4

About 4-(3-fluoropropyl)thiomorpholine-3-carboxylic acid

4-(3-fluoropropyl)thiomorpholine-3-carboxylic acid (PubChem CID 82909465) has the molecular formula C8H14FNO2S and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(3-fluoropropyl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluoropropyl)thiomorpholine-3-carboxylic acid
PubChem CID82909465
Molecular FormulaC8H14FNO2S
Molecular Weight207.27 g/mol
Exact Mass207.07
IUPAC Name4-(3-fluoropropyl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1CCCF
InChIInChI=1S/C8H14FNO2S/c9-2-1-3-10-4-5-13-6-7(10)8(11)12/h7H,1-6H2,(H,11,12)
InChIKeyGZLQUTXGSYISHQ-UHFFFAOYSA-N
XLogP0.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(3-fluoropropyl)thiomorpholine-3-carboxylic acid (CID 82909465) is 4-(3-fluoropropyl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(3-fluoropropyl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(3-fluoropropyl)thiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1CCCF.
What is the InChIKey of 4-(3-fluoropropyl)thiomorpholine-3-carboxylic acid?
The InChIKey is GZLQUTXGSYISHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2S/c9-2-1-3-10-4-5-13-6-7(10)8(11)12/h7H,1-6H2,(H,11,12).
What are the key properties of 4-(3-fluoropropyl)thiomorpholine-3-carboxylic acid?
4-(3-fluoropropyl)thiomorpholine-3-carboxylic acid has a molecular weight of 207.27 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropyl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82909465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).