2-(4-amino-5,5-difluoropentyl)guanidine

C6H14F2N4 — CID 54031848

IUPAC2-(4-amino-5,5-difluoropentyl)guanidine
SMILESNC(N)=NCCCC(N)C(F)F
InChIInChI=1S/C6H14F2N4/c7-5(8)4(9)2-1-3-12-6(10)11/h4-5H,1-3,9H2,(H4,10,11,12)
InChIKeyLGDMDAUYXBTKAN-UHFFFAOYSA-N
MW180.20 g/mol
LogP-0.37
Rot. Bonds5

About 2-(4-amino-5,5-difluoropentyl)guanidine

2-(4-amino-5,5-difluoropentyl)guanidine (PubChem CID 54031848) has the molecular formula C6H14F2N4 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(4-amino-5,5-difluoropentyl)guanidine.

Molecular Properties

Compound Name2-(4-amino-5,5-difluoropentyl)guanidine
PubChem CID54031848
Molecular FormulaC6H14F2N4
Molecular Weight180.20 g/mol
Exact Mass180.12
IUPAC Name2-(4-amino-5,5-difluoropentyl)guanidine
SMILESNC(N)=NCCCC(N)C(F)F
InChIInChI=1S/C6H14F2N4/c7-5(8)4(9)2-1-3-12-6(10)11/h4-5H,1-3,9H2,(H4,10,11,12)
InChIKeyLGDMDAUYXBTKAN-UHFFFAOYSA-N
XLogP-0.37
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-amino-5,5-difluoropentyl)guanidine?
The IUPAC name of 2-(4-amino-5,5-difluoropentyl)guanidine (CID 54031848) is 2-(4-amino-5,5-difluoropentyl)guanidine.
What is the SMILES notation for 2-(4-amino-5,5-difluoropentyl)guanidine?
The canonical SMILES for 2-(4-amino-5,5-difluoropentyl)guanidine is NC(N)=NCCCC(N)C(F)F.
What is the InChIKey of 2-(4-amino-5,5-difluoropentyl)guanidine?
The InChIKey is LGDMDAUYXBTKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F2N4/c7-5(8)4(9)2-1-3-12-6(10)11/h4-5H,1-3,9H2,(H4,10,11,12).
What are the key properties of 2-(4-amino-5,5-difluoropentyl)guanidine?
2-(4-amino-5,5-difluoropentyl)guanidine has a molecular weight of 180.20 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5,5-difluoropentyl)guanidine is sourced from PubChem (CID 54031848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).