1-cyclopentyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine

C9H17F2N3O — CID 104858995

IUPAC1-cyclopentyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine
SMILESN/C(=N\CC(F)(F)CO)NC1CCCC1
InChIInChI=1S/C9H17F2N3O/c10-9(11,6-15)5-13-8(12)14-7-3-1-2-4-7/h7,15H,1-6H2,(H3,12,13,14)
InChIKeyPLSCMNTWOZZULF-UHFFFAOYSA-N
MW221.25 g/mol
LogP0.46
Rot. Bonds4

About 1-cyclopentyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine

1-cyclopentyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine (PubChem CID 104858995) has the molecular formula C9H17F2N3O and a molecular weight of 221.25 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine
PubChem CID104858995
Molecular FormulaC9H17F2N3O
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Name1-cyclopentyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine
SMILESN/C(=N\CC(F)(F)CO)NC1CCCC1
InChIInChI=1S/C9H17F2N3O/c10-9(11,6-15)5-13-8(12)14-7-3-1-2-4-7/h7,15H,1-6H2,(H3,12,13,14)
InChIKeyPLSCMNTWOZZULF-UHFFFAOYSA-N
XLogP0.46
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 50.46
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'}

Analyze 1-cyclopentyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclopentyl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine
CID 103635629
1-Cyclopentyl-2-(3,3-difluoro-2-hydroxypropyl)guanidine
CID 103734423
1-Cyclohexyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine
CID 104859000
1-Cyclopentyl-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 110990195
1-Cyclopentyl-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 110990197
1-Cyclopentyl-2-[2-(trifluoromethoxy)ethyl]guanidine
CID 120486285
1-Cycloheptyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine
CID 121829418
1-Cyclobutyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine
CID 122095385
2-Methyl-1-pentyl-3-(4,4,4-trifluoro-3-hydroxybutyl)guanidine
CID 167786135
1-Cyclopentyl-2-(2-hydroxyethyl)guanidine
CID 47086533
1-Cyclopentyl-2-(3-hydroxypropyl)guanidine
CID 62364719
1-Cyclopentyl-2-(3-hydroxy-2-methylpropyl)guanidine
CID 62411958

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine (CID 104858995) is 1-cyclopentyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine is N/C(=N\CC(F)(F)CO)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine?
The InChIKey is PLSCMNTWOZZULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N3O/c10-9(11,6-15)5-13-8(12)14-7-3-1-2-4-7/h7,15H,1-6H2,(H3,12,13,14).
What are the key properties of 1-cyclopentyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine?
1-cyclopentyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine has a molecular weight of 221.25 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine is sourced from PubChem (CID 104858995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).