2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropanimidamide

C10H17F3N2S — CID 103371425

IUPAC2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CSC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H17F3N2S/c11-10(12,13)8(9(14)15)6-16-7-4-2-1-3-5-7/h7-8H,1-6H2,(H3,14,15)
InChIKeyRANCGVNNJOBUQC-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.17
Rot. Bonds4

About 2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropanimidamide

2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropanimidamide (PubChem CID 103371425) has the molecular formula C10H17F3N2S and a molecular weight of 254.32 g/mol. Its IUPAC name is 2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropanimidamide
PubChem CID103371425
Molecular FormulaC10H17F3N2S
Molecular Weight254.32 g/mol
Exact Mass254.11
IUPAC Name2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CSC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H17F3N2S/c11-10(12,13)8(9(14)15)6-16-7-4-2-1-3-5-7/h7-8H,1-6H2,(H3,14,15)
InChIKeyRANCGVNNJOBUQC-UHFFFAOYSA-N
XLogP3.17
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropanimidamide (CID 103371425) is 2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(CSC1CCCCC1)C(F)(F)F.
What is the InChIKey of 2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropanimidamide?
The InChIKey is RANCGVNNJOBUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2S/c11-10(12,13)8(9(14)15)6-16-7-4-2-1-3-5-7/h7-8H,1-6H2,(H3,14,15).
What are the key properties of 2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropanimidamide?
2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropanimidamide has a molecular weight of 254.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylsulfanylmethyl)-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103371425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).