1,1,2-trimethyl-3-(1,2,2,3,3-pentafluoropropyl)guanidine

C7H12F5N3 — CID 175541996

IUPAC1,1,2-trimethyl-3-(1,2,2,3,3-pentafluoropropyl)guanidine
SMILESC/N=C(/NC(F)C(F)(F)C(F)F)N(C)C
InChIInChI=1S/C7H12F5N3/c1-13-6(15(2)3)14-5(10)7(11,12)4(8)9/h4-5H,1-3H3,(H,13,14)
InChIKeyUJXXQGRGQXTZKG-UHFFFAOYSA-N
MW233.18 g/mol
LogP1.32
Rot. Bonds3

About 1,1,2-trimethyl-3-(1,2,2,3,3-pentafluoropropyl)guanidine

1,1,2-trimethyl-3-(1,2,2,3,3-pentafluoropropyl)guanidine (PubChem CID 175541996) has the molecular formula C7H12F5N3 and a molecular weight of 233.18 g/mol. Its IUPAC name is 1,1,2-trimethyl-3-(1,2,2,3,3-pentafluoropropyl)guanidine.

Molecular Properties

Compound Name1,1,2-trimethyl-3-(1,2,2,3,3-pentafluoropropyl)guanidine
PubChem CID175541996
Molecular FormulaC7H12F5N3
Molecular Weight233.18 g/mol
Exact Mass233.10
IUPAC Name1,1,2-trimethyl-3-(1,2,2,3,3-pentafluoropropyl)guanidine
SMILESC/N=C(/NC(F)C(F)(F)C(F)F)N(C)C
InChIInChI=1S/C7H12F5N3/c1-13-6(15(2)3)14-5(10)7(11,12)4(8)9/h4-5H,1-3H3,(H,13,14)
InChIKeyUJXXQGRGQXTZKG-UHFFFAOYSA-N
XLogP1.32
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 51.32
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,2-trimethyl-3-(1,2,2,3,3-pentafluoropropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-3-(1,2,2,3,3-pentafluoropropyl)guanidine?
The IUPAC name of 1,1,2-trimethyl-3-(1,2,2,3,3-pentafluoropropyl)guanidine (CID 175541996) is 1,1,2-trimethyl-3-(1,2,2,3,3-pentafluoropropyl)guanidine.
What is the SMILES notation for 1,1,2-trimethyl-3-(1,2,2,3,3-pentafluoropropyl)guanidine?
The canonical SMILES for 1,1,2-trimethyl-3-(1,2,2,3,3-pentafluoropropyl)guanidine is C/N=C(/NC(F)C(F)(F)C(F)F)N(C)C.
What is the InChIKey of 1,1,2-trimethyl-3-(1,2,2,3,3-pentafluoropropyl)guanidine?
The InChIKey is UJXXQGRGQXTZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F5N3/c1-13-6(15(2)3)14-5(10)7(11,12)4(8)9/h4-5H,1-3H3,(H,13,14).
What are the key properties of 1,1,2-trimethyl-3-(1,2,2,3,3-pentafluoropropyl)guanidine?
1,1,2-trimethyl-3-(1,2,2,3,3-pentafluoropropyl)guanidine has a molecular weight of 233.18 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-3-(1,2,2,3,3-pentafluoropropyl)guanidine is sourced from PubChem (CID 175541996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).