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

C10H20F3N3 — CID 62361475

IUPAC2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCC(C)C/N=C(\N)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H20F3N3/c1-7(2)5-15-9(14)16(8(3)4)6-10(11,12)13/h7-8H,5-6H2,1-4H3,(H2,14,15)
InChIKeyGKXOENKTDNFWMJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.23
Rot. Bonds4

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

2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62361475) has the molecular formula C10H20F3N3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62361475
Molecular FormulaC10H20F3N3
Molecular Weight239.28 g/mol
Exact Mass239.16
IUPAC Name2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCC(C)C/N=C(\N)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H20F3N3/c1-7(2)5-15-9(14)16(8(3)4)6-10(11,12)13/h7-8H,5-6H2,1-4H3,(H2,14,15)
InChIKeyGKXOENKTDNFWMJ-UHFFFAOYSA-N
XLogP2.23
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.23
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-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine (CID 62361475) is 2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine is CC(C)C/N=C(\N)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is GKXOENKTDNFWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3/c1-7(2)5-15-9(14)16(8(3)4)6-10(11,12)13/h7-8H,5-6H2,1-4H3,(H2,14,15).
What are the key properties of 2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 239.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62361475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).