1-amino-3-phenyl-2-(2,2,3,3-tetrafluoropropyl)guanidine

C10H12F4N4 — CID 106296456

IUPAC1-amino-3-phenyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
SMILESNN/C(=N\CC(F)(F)C(F)F)Nc1ccccc1
InChIInChI=1S/C10H12F4N4/c11-8(12)10(13,14)6-16-9(18-15)17-7-4-2-1-3-5-7/h1-5,8H,6,15H2,(H2,16,17,18)
InChIKeyWQPCRMFQGKGQBE-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.82
Rot. Bonds4

About 1-amino-3-phenyl-2-(2,2,3,3-tetrafluoropropyl)guanidine

1-amino-3-phenyl-2-(2,2,3,3-tetrafluoropropyl)guanidine (PubChem CID 106296456) has the molecular formula C10H12F4N4 and a molecular weight of 264.23 g/mol. Its IUPAC name is 1-amino-3-phenyl-2-(2,2,3,3-tetrafluoropropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-phenyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
PubChem CID106296456
Molecular FormulaC10H12F4N4
Molecular Weight264.23 g/mol
Exact Mass264.10
IUPAC Name1-amino-3-phenyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
SMILESNN/C(=N\CC(F)(F)C(F)F)Nc1ccccc1
InChIInChI=1S/C10H12F4N4/c11-8(12)10(13,14)6-16-9(18-15)17-7-4-2-1-3-5-7/h1-5,8H,6,15H2,(H2,16,17,18)
InChIKeyWQPCRMFQGKGQBE-UHFFFAOYSA-N
XLogP1.82
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine
CID 116513757
1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
CID 106296453
1-amino-3-phenyl-2-propylguanidine
CID 116511382
1-amino-2-pentyl-3-phenylguanidine
CID 116511896
N-phenyl-2-(2,2,3,3-tetrafluoropropylamino)acetamide
CID 114169332
1-amino-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 116512555
1-amino-2-(cyclopentylmethyl)-3-phenylguanidine
CID 116513181
1-amino-2-[(2,2-dimethylcyclopropyl)methyl]-3-phenylguanidine
CID 114110145
1-amino-2-[4-[methyl(propan-2-yl)amino]butyl]-3-phenylguanidine
CID 116514213
1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine
CID 116515017
1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 116515102
1-amino-2-(5-methylhexan-2-yl)-3-phenylguanidine
CID 116515342

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-phenyl-2-(2,2,3,3-tetrafluoropropyl)guanidine?
The IUPAC name of 1-amino-3-phenyl-2-(2,2,3,3-tetrafluoropropyl)guanidine (CID 106296456) is 1-amino-3-phenyl-2-(2,2,3,3-tetrafluoropropyl)guanidine.
What is the SMILES notation for 1-amino-3-phenyl-2-(2,2,3,3-tetrafluoropropyl)guanidine?
The canonical SMILES for 1-amino-3-phenyl-2-(2,2,3,3-tetrafluoropropyl)guanidine is NN/C(=N\CC(F)(F)C(F)F)Nc1ccccc1.
What is the InChIKey of 1-amino-3-phenyl-2-(2,2,3,3-tetrafluoropropyl)guanidine?
The InChIKey is WQPCRMFQGKGQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N4/c11-8(12)10(13,14)6-16-9(18-15)17-7-4-2-1-3-5-7/h1-5,8H,6,15H2,(H2,16,17,18).
What are the key properties of 1-amino-3-phenyl-2-(2,2,3,3-tetrafluoropropyl)guanidine?
1-amino-3-phenyl-2-(2,2,3,3-tetrafluoropropyl)guanidine has a molecular weight of 264.23 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-phenyl-2-(2,2,3,3-tetrafluoropropyl)guanidine is sourced from PubChem (CID 106296456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).