N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide

C12H22F3N3 — CID 109452579

IUPACN',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide
SMILESC/N=C(\NCCC(F)(F)F)N1CC(C)(C)C1(C)C
InChIInChI=1S/C12H22F3N3/c1-10(2)8-18(11(10,3)4)9(16-5)17-7-6-12(13,14)15/h6-8H2,1-5H3,(H,16,17)
InChIKeyVULULRLSJNXVME-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.63
Rot. Bonds2

About N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide

N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide (PubChem CID 109452579) has the molecular formula C12H22F3N3 and a molecular weight of 265.32 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide
PubChem CID109452579
Molecular FormulaC12H22F3N3
Molecular Weight265.32 g/mol
Exact Mass265.18
IUPAC NameN',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide
SMILESC/N=C(\NCCC(F)(F)F)N1CC(C)(C)C1(C)C
InChIInChI=1S/C12H22F3N3/c1-10(2)8-18(11(10,3)4)9(16-5)17-7-6-12(13,14)15/h6-8H2,1-5H3,(H,16,17)
InChIKeyVULULRLSJNXVME-UHFFFAOYSA-N
XLogP2.63
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide (CID 109452579) is N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide is C/N=C(\NCCC(F)(F)F)N1CC(C)(C)C1(C)C.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide?
The InChIKey is VULULRLSJNXVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3/c1-10(2)8-18(11(10,3)4)9(16-5)17-7-6-12(13,14)15/h6-8H2,1-5H3,(H,16,17).
What are the key properties of N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide?
N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide has a molecular weight of 265.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide is sourced from PubChem (CID 109452579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).