2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine

C7H14F3N3 — CID 62358423

IUPAC2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
SMILESC/N=C(\N)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C7H14F3N3/c1-5(2)13(6(11)12-3)4-7(8,9)10/h5H,4H2,1-3H3,(H2,11,12)
InChIKeyZYTGNABCGXCCDL-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.20
Rot. Bonds2

About 2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine

2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62358423) has the molecular formula C7H14F3N3 and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62358423
Molecular FormulaC7H14F3N3
Molecular Weight197.20 g/mol
Exact Mass197.11
IUPAC Name2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
SMILESC/N=C(\N)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C7H14F3N3/c1-5(2)13(6(11)12-3)4-7(8,9)10/h5H,4H2,1-3H3,(H2,11,12)
InChIKeyZYTGNABCGXCCDL-UHFFFAOYSA-N
XLogP1.20
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.20
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 2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine (CID 62358423) is 2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine is C/N=C(\N)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is ZYTGNABCGXCCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3/c1-5(2)13(6(11)12-3)4-7(8,9)10/h5H,4H2,1-3H3,(H2,11,12).
What are the key properties of 2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 197.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62358423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).