4-[[2-(trifluoromethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid

C10H14F3NO3S — CID 119229050

IUPAC4-[[2-(trifluoromethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CSC(F)(F)F)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H14F3NO3S/c11-10(12,13)18-5-8(15)14-7-3-1-6(2-4-7)9(16)17/h6-7H,1-5H2,(H,14,15)(H,16,17)
InChIKeyGZHPFWVSUJVPPW-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.00
Rot. Bonds4

About 4-[[2-(trifluoromethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(trifluoromethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119229050) has the molecular formula C10H14F3NO3S and a molecular weight of 285.29 g/mol. Its IUPAC name is 4-[[2-(trifluoromethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(trifluoromethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119229050
Molecular FormulaC10H14F3NO3S
Molecular Weight285.29 g/mol
Exact Mass285.06
IUPAC Name4-[[2-(trifluoromethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CSC(F)(F)F)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H14F3NO3S/c11-10(12,13)18-5-8(15)14-7-3-1-6(2-4-7)9(16)17/h6-7H,1-5H2,(H,14,15)(H,16,17)
InChIKeyGZHPFWVSUJVPPW-UHFFFAOYSA-N
XLogP2.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(trifluoromethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(trifluoromethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 119229050) is 4-[[2-(trifluoromethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(trifluoromethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(trifluoromethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(CSC(F)(F)F)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(trifluoromethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is GZHPFWVSUJVPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3S/c11-10(12,13)18-5-8(15)14-7-3-1-6(2-4-7)9(16)17/h6-7H,1-5H2,(H,14,15)(H,16,17).
What are the key properties of 4-[[2-(trifluoromethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(trifluoromethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 285.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(trifluoromethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).