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

C7H15F2N3O — CID 104858998

IUPAC2-(2,2-difluoro-3-hydroxypropyl)-1-propylguanidine
SMILESCCCN/C(N)=N/CC(F)(F)CO
InChIInChI=1S/C7H15F2N3O/c1-2-3-11-6(10)12-4-7(8,9)5-13/h13H,2-5H2,1H3,(H3,10,11,12)
InChIKeyNWVIZJGTTTVLKX-UHFFFAOYSA-N
MW195.21 g/mol
LogP-0.07
Rot. Bonds5

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

2-(2,2-difluoro-3-hydroxypropyl)-1-propylguanidine (PubChem CID 104858998) has the molecular formula C7H15F2N3O and a molecular weight of 195.21 g/mol. Its IUPAC name is 2-(2,2-difluoro-3-hydroxypropyl)-1-propylguanidine.

Molecular Properties

Compound Name2-(2,2-difluoro-3-hydroxypropyl)-1-propylguanidine
PubChem CID104858998
Molecular FormulaC7H15F2N3O
Molecular Weight195.21 g/mol
Exact Mass195.12
IUPAC Name2-(2,2-difluoro-3-hydroxypropyl)-1-propylguanidine
SMILESCCCN/C(N)=N/CC(F)(F)CO
InChIInChI=1S/C7H15F2N3O/c1-2-3-11-6(10)12-4-7(8,9)5-13/h13H,2-5H2,1H3,(H3,10,11,12)
InChIKeyNWVIZJGTTTVLKX-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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Related Compounds

2-Methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)guanidine
CID 103635627
1-(3,3-Difluoro-2-hydroxypropyl)-2-methylguanidine
CID 103734425
2-(3,3-Difluoro-2-hydroxypropyl)-1-propylguanidine
CID 103734426
2-(3,3-Difluoro-2-hydroxypropyl)-1-ethylguanidine
CID 103734427
1-Cyclopropyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine
CID 104858991
1-(2,2-Difluoro-3-hydroxypropyl)-2-methylguanidine
CID 104858992
3-(4,5-dihydro-1H-imidazol-2-ylamino)-2,2-difluoropropan-1-ol
CID 104858993
2-(2,2-Difluoro-3-hydroxypropyl)-1-ethylguanidine
CID 104858996
2-(2,2-Difluoro-3-hydroxypropyl)-1-(2-methylpropyl)guanidine
CID 104858999
2-(2,2-Difluoro-3-hydroxypropyl)-1-propan-2-ylguanidine
CID 104859001
1-Ethyl-2-(3-hydroxy-2,2-dimethylpropyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472758
1-Ethyl-2-(3-hydroxy-2,2-dimethylpropyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 109472759

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-3-hydroxypropyl)-1-propylguanidine?
The IUPAC name of 2-(2,2-difluoro-3-hydroxypropyl)-1-propylguanidine (CID 104858998) is 2-(2,2-difluoro-3-hydroxypropyl)-1-propylguanidine.
What is the SMILES notation for 2-(2,2-difluoro-3-hydroxypropyl)-1-propylguanidine?
The canonical SMILES for 2-(2,2-difluoro-3-hydroxypropyl)-1-propylguanidine is CCCN/C(N)=N/CC(F)(F)CO.
What is the InChIKey of 2-(2,2-difluoro-3-hydroxypropyl)-1-propylguanidine?
The InChIKey is NWVIZJGTTTVLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3O/c1-2-3-11-6(10)12-4-7(8,9)5-13/h13H,2-5H2,1H3,(H3,10,11,12).
What are the key properties of 2-(2,2-difluoro-3-hydroxypropyl)-1-propylguanidine?
2-(2,2-difluoro-3-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-(2,2-difluoro-3-hydroxypropyl)-1-propylguanidine is sourced from PubChem (CID 104858998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).