1,2-diethyl-1-(2-fluoropropyl)guanidine

C8H18FN3 — CID 90972045

IUPAC1,2-diethyl-1-(2-fluoropropyl)guanidine
SMILESCC/N=C(\N)N(CC)CC(C)F
InChIInChI=1S/C8H18FN3/c1-4-11-8(10)12(5-2)6-7(3)9/h7H,4-6H2,1-3H3,(H2,10,11)
InChIKeyZTFUDZFKWRTBJN-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.00
Rot. Bonds4

About 1,2-diethyl-1-(2-fluoropropyl)guanidine

1,2-diethyl-1-(2-fluoropropyl)guanidine (PubChem CID 90972045) has the molecular formula C8H18FN3 and a molecular weight of 175.25 g/mol. Its IUPAC name is 1,2-diethyl-1-(2-fluoropropyl)guanidine.

Molecular Properties

Compound Name1,2-diethyl-1-(2-fluoropropyl)guanidine
PubChem CID90972045
Molecular FormulaC8H18FN3
Molecular Weight175.25 g/mol
Exact Mass175.15
IUPAC Name1,2-diethyl-1-(2-fluoropropyl)guanidine
SMILESCC/N=C(\N)N(CC)CC(C)F
InChIInChI=1S/C8H18FN3/c1-4-11-8(10)12(5-2)6-7(3)9/h7H,4-6H2,1-3H3,(H2,10,11)
InChIKeyZTFUDZFKWRTBJN-UHFFFAOYSA-N
XLogP1.00
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.00
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 1,2-diethyl-1-(2-fluoropropyl)guanidine?
The IUPAC name of 1,2-diethyl-1-(2-fluoropropyl)guanidine (CID 90972045) is 1,2-diethyl-1-(2-fluoropropyl)guanidine.
What is the SMILES notation for 1,2-diethyl-1-(2-fluoropropyl)guanidine?
The canonical SMILES for 1,2-diethyl-1-(2-fluoropropyl)guanidine is CC/N=C(\N)N(CC)CC(C)F.
What is the InChIKey of 1,2-diethyl-1-(2-fluoropropyl)guanidine?
The InChIKey is ZTFUDZFKWRTBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN3/c1-4-11-8(10)12(5-2)6-7(3)9/h7H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of 1,2-diethyl-1-(2-fluoropropyl)guanidine?
1,2-diethyl-1-(2-fluoropropyl)guanidine has a molecular weight of 175.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-1-(2-fluoropropyl)guanidine is sourced from PubChem (CID 90972045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).