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

C7H13F4N3 — CID 175541994

IUPAC1,1,2-trimethyl-3-(1,2,3,3-tetrafluoropropyl)guanidine
SMILESC/N=C(/NC(F)C(F)C(F)F)N(C)C
InChIInChI=1S/C7H13F4N3/c1-12-7(14(2)3)13-6(11)4(8)5(9)10/h4-6H,1-3H3,(H,12,13)
InChIKeyLOXGBAQLNRTWCP-UHFFFAOYSA-N
MW215.19 g/mol
LogP1.02
Rot. Bonds3

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

1,1,2-trimethyl-3-(1,2,3,3-tetrafluoropropyl)guanidine (PubChem CID 175541994) has the molecular formula C7H13F4N3 and a molecular weight of 215.19 g/mol. Its IUPAC name is 1,1,2-trimethyl-3-(1,2,3,3-tetrafluoropropyl)guanidine.

Molecular Properties

Compound Name1,1,2-trimethyl-3-(1,2,3,3-tetrafluoropropyl)guanidine
PubChem CID175541994
Molecular FormulaC7H13F4N3
Molecular Weight215.19 g/mol
Exact Mass215.10
IUPAC Name1,1,2-trimethyl-3-(1,2,3,3-tetrafluoropropyl)guanidine
SMILESC/N=C(/NC(F)C(F)C(F)F)N(C)C
InChIInChI=1S/C7H13F4N3/c1-12-7(14(2)3)13-6(11)4(8)5(9)10/h4-6H,1-3H3,(H,12,13)
InChIKeyLOXGBAQLNRTWCP-UHFFFAOYSA-N
XLogP1.02
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 51.02
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-3-(1,2,3,3-tetrafluoropropyl)guanidine?
The IUPAC name of 1,1,2-trimethyl-3-(1,2,3,3-tetrafluoropropyl)guanidine (CID 175541994) is 1,1,2-trimethyl-3-(1,2,3,3-tetrafluoropropyl)guanidine.
What is the SMILES notation for 1,1,2-trimethyl-3-(1,2,3,3-tetrafluoropropyl)guanidine?
The canonical SMILES for 1,1,2-trimethyl-3-(1,2,3,3-tetrafluoropropyl)guanidine is C/N=C(/NC(F)C(F)C(F)F)N(C)C.
What is the InChIKey of 1,1,2-trimethyl-3-(1,2,3,3-tetrafluoropropyl)guanidine?
The InChIKey is LOXGBAQLNRTWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F4N3/c1-12-7(14(2)3)13-6(11)4(8)5(9)10/h4-6H,1-3H3,(H,12,13).
What are the key properties of 1,1,2-trimethyl-3-(1,2,3,3-tetrafluoropropyl)guanidine?
1,1,2-trimethyl-3-(1,2,3,3-tetrafluoropropyl)guanidine has a molecular weight of 215.19 g/mol, XLogP of 1.02, 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-(1,2,3,3-tetrafluoropropyl)guanidine is sourced from PubChem (CID 175541994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).