N'-[(3,3-difluorocyclobutyl)methyl]propanimidamide

C8H14F2N2 — CID 131162776

IUPACN'-[(3,3-difluorocyclobutyl)methyl]propanimidamide
SMILESCC/C(N)=N\CC1CC(F)(F)C1
InChIInChI=1S/C8H14F2N2/c1-2-7(11)12-5-6-3-8(9,10)4-6/h6H,2-5H2,1H3,(H2,11,12)
InChIKeyWFFQEJWJXFZLMJ-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.80
Rot. Bonds3

About N'-[(3,3-difluorocyclobutyl)methyl]propanimidamide

N'-[(3,3-difluorocyclobutyl)methyl]propanimidamide (PubChem CID 131162776) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is N'-[(3,3-difluorocyclobutyl)methyl]propanimidamide.

Molecular Properties

Compound NameN'-[(3,3-difluorocyclobutyl)methyl]propanimidamide
PubChem CID131162776
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC NameN'-[(3,3-difluorocyclobutyl)methyl]propanimidamide
SMILESCC/C(N)=N\CC1CC(F)(F)C1
InChIInChI=1S/C8H14F2N2/c1-2-7(11)12-5-6-3-8(9,10)4-6/h6H,2-5H2,1H3,(H2,11,12)
InChIKeyWFFQEJWJXFZLMJ-UHFFFAOYSA-N
XLogP1.80
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
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

1-amino-2-[(3,3-difluorocyclobutyl)methyl]-3-ethylguanidine
CID 130878893
N'-[(3-methylcyclopentyl)methyl]propanimidamide
CID 107415433
3-ethyl-1,1-difluorocyclobutane
CID 67229999
N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide
CID 131041454
N'-[(3,3-dimethylcyclobutyl)methyl]ethanimidamide;hydroiodide
CID 131041453
N'-(2,2-difluorocyclopentyl)propanimidamide
CID 131097767
(3,3-difluorocyclobutyl)methanamine
CID 45480376
2-(3,3-difluorocyclopentyl)-N'-hydroxyethanimidamide
CID 142465564
N'-(2-methoxy-2-methylcyclopropyl)propanimidamide
CID 164659009
diethyl 2-[(3,3-difluorocyclobutyl)methyl]propanedioate
CID 90081340
ethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate
CID 138987441
N'-[2-(dimethylamino)propyl]propanimidamide
CID 45088420

Frequently Asked Questions

What is the IUPAC name of N'-[(3,3-difluorocyclobutyl)methyl]propanimidamide?
The IUPAC name of N'-[(3,3-difluorocyclobutyl)methyl]propanimidamide (CID 131162776) is N'-[(3,3-difluorocyclobutyl)methyl]propanimidamide.
What is the SMILES notation for N'-[(3,3-difluorocyclobutyl)methyl]propanimidamide?
The canonical SMILES for N'-[(3,3-difluorocyclobutyl)methyl]propanimidamide is CC/C(N)=N\CC1CC(F)(F)C1.
What is the InChIKey of N'-[(3,3-difluorocyclobutyl)methyl]propanimidamide?
The InChIKey is WFFQEJWJXFZLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-2-7(11)12-5-6-3-8(9,10)4-6/h6H,2-5H2,1H3,(H2,11,12).
What are the key properties of N'-[(3,3-difluorocyclobutyl)methyl]propanimidamide?
N'-[(3,3-difluorocyclobutyl)methyl]propanimidamide has a molecular weight of 176.21 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,3-difluorocyclobutyl)methyl]propanimidamide is sourced from PubChem (CID 131162776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).