2-benzyl-1-(3,3-difluorocyclopentyl)guanidine

C13H17F2N3 — CID 130625535

IUPAC2-benzyl-1-(3,3-difluorocyclopentyl)guanidine
SMILESN/C(=N\Cc1ccccc1)NC1CCC(F)(F)C1
InChIInChI=1S/C13H17F2N3/c14-13(15)7-6-11(8-13)18-12(16)17-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H3,16,17,18)
InChIKeyWPAZGGOXBOTEAV-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.28
Rot. Bonds3

About 2-benzyl-1-(3,3-difluorocyclopentyl)guanidine

2-benzyl-1-(3,3-difluorocyclopentyl)guanidine (PubChem CID 130625535) has the molecular formula C13H17F2N3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-benzyl-1-(3,3-difluorocyclopentyl)guanidine.

Molecular Properties

Compound Name2-benzyl-1-(3,3-difluorocyclopentyl)guanidine
PubChem CID130625535
Molecular FormulaC13H17F2N3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-benzyl-1-(3,3-difluorocyclopentyl)guanidine
SMILESN/C(=N\Cc1ccccc1)NC1CCC(F)(F)C1
InChIInChI=1S/C13H17F2N3/c14-13(15)7-6-11(8-13)18-12(16)17-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H3,16,17,18)
InChIKeyWPAZGGOXBOTEAV-UHFFFAOYSA-N
XLogP2.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
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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Related Compounds

2-benzyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)guanidine
CID 130557090
2-benzyl-1-[2-(hydroxymethyl)cyclopentyl]guanidine
CID 130557243
2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine
CID 130567942
1-cyclopropyl-2-(pyridin-4-ylmethyl)guanidine
CID 62362184
2-benzyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
CID 130557052
1-cyclopropyl-2-[(3-methylphenyl)methyl]guanidine
CID 62361764
2-benzyl-1-(2,3-dimethylcyclohexyl)guanidine
CID 130158509
2-[(3,3-difluorocyclopentyl)methyl]-1-phenylguanidine
CID 120665916
N-(3,3-difluorocyclopentyl)aniline
CID 170406665
2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine
CID 62364373
1-amino-2-benzyl-3-cyclopropylguanidine
CID 116511559
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(3,3-difluorocyclopentyl)guanidine?
The IUPAC name of 2-benzyl-1-(3,3-difluorocyclopentyl)guanidine (CID 130625535) is 2-benzyl-1-(3,3-difluorocyclopentyl)guanidine.
What is the SMILES notation for 2-benzyl-1-(3,3-difluorocyclopentyl)guanidine?
The canonical SMILES for 2-benzyl-1-(3,3-difluorocyclopentyl)guanidine is N/C(=N\Cc1ccccc1)NC1CCC(F)(F)C1.
What is the InChIKey of 2-benzyl-1-(3,3-difluorocyclopentyl)guanidine?
The InChIKey is WPAZGGOXBOTEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3/c14-13(15)7-6-11(8-13)18-12(16)17-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H3,16,17,18).
What are the key properties of 2-benzyl-1-(3,3-difluorocyclopentyl)guanidine?
2-benzyl-1-(3,3-difluorocyclopentyl)guanidine has a molecular weight of 253.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(3,3-difluorocyclopentyl)guanidine is sourced from PubChem (CID 130625535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).