2-(3,3-difluoro-2-hydroxypropyl)-1-propylguanidine

C7H15F2N3O — CID 103734426

IUPAC2-(3,3-difluoro-2-hydroxypropyl)-1-propylguanidine
SMILESCCCN/C(N)=N/CC(O)C(F)F
InChIInChI=1S/C7H15F2N3O/c1-2-3-11-7(10)12-4-5(13)6(8)9/h5-6,13H,2-4H2,1H3,(H3,10,11,12)
InChIKeyGTGKETMJNHEGCZ-UHFFFAOYSA-N
MW195.21 g/mol
LogP-0.07
Rot. Bonds5

About 2-(3,3-difluoro-2-hydroxypropyl)-1-propylguanidine

2-(3,3-difluoro-2-hydroxypropyl)-1-propylguanidine (PubChem CID 103734426) has the molecular formula C7H15F2N3O and a molecular weight of 195.21 g/mol. Its IUPAC name is 2-(3,3-difluoro-2-hydroxypropyl)-1-propylguanidine.

Molecular Properties

Compound Name2-(3,3-difluoro-2-hydroxypropyl)-1-propylguanidine
PubChem CID103734426
Molecular FormulaC7H15F2N3O
Molecular Weight195.21 g/mol
Exact Mass195.12
IUPAC Name2-(3,3-difluoro-2-hydroxypropyl)-1-propylguanidine
SMILESCCCN/C(N)=N/CC(O)C(F)F
InChIInChI=1S/C7H15F2N3O/c1-2-3-11-7(10)12-4-5(13)6(8)9/h5-6,13H,2-4H2,1H3,(H3,10,11,12)
InChIKeyGTGKETMJNHEGCZ-UHFFFAOYSA-N
XLogP-0.07
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(3,3-difluoro-2-hydroxypropyl)-1-propylguanidine?
The IUPAC name of 2-(3,3-difluoro-2-hydroxypropyl)-1-propylguanidine (CID 103734426) is 2-(3,3-difluoro-2-hydroxypropyl)-1-propylguanidine.
What is the SMILES notation for 2-(3,3-difluoro-2-hydroxypropyl)-1-propylguanidine?
The canonical SMILES for 2-(3,3-difluoro-2-hydroxypropyl)-1-propylguanidine is CCCN/C(N)=N/CC(O)C(F)F.
What is the InChIKey of 2-(3,3-difluoro-2-hydroxypropyl)-1-propylguanidine?
The InChIKey is GTGKETMJNHEGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3O/c1-2-3-11-7(10)12-4-5(13)6(8)9/h5-6,13H,2-4H2,1H3,(H3,10,11,12).
What are the key properties of 2-(3,3-difluoro-2-hydroxypropyl)-1-propylguanidine?
2-(3,3-difluoro-2-hydroxypropyl)-1-propylguanidine has a molecular weight of 195.21 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-2-hydroxypropyl)-1-propylguanidine is sourced from PubChem (CID 103734426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).