N'-cyclopropyl-3,3-difluoropyrrolidine-1-carboximidamide

C8H13F2N3 — CID 130690545

IUPACN'-cyclopropyl-3,3-difluoropyrrolidine-1-carboximidamide
SMILESN/C(=N\C1CC1)N1CCC(F)(F)C1
InChIInChI=1S/C8H13F2N3/c9-8(10)3-4-13(5-8)7(11)12-6-1-2-6/h6H,1-5H2,(H2,11,12)
InChIKeyYMNIGINIWRJSBK-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.80
Rot. Bonds1

About N'-cyclopropyl-3,3-difluoropyrrolidine-1-carboximidamide

N'-cyclopropyl-3,3-difluoropyrrolidine-1-carboximidamide (PubChem CID 130690545) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is N'-cyclopropyl-3,3-difluoropyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-3,3-difluoropyrrolidine-1-carboximidamide
PubChem CID130690545
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC NameN'-cyclopropyl-3,3-difluoropyrrolidine-1-carboximidamide
SMILESN/C(=N\C1CC1)N1CCC(F)(F)C1
InChIInChI=1S/C8H13F2N3/c9-8(10)3-4-13(5-8)7(11)12-6-1-2-6/h6H,1-5H2,(H2,11,12)
InChIKeyYMNIGINIWRJSBK-UHFFFAOYSA-N
XLogP0.80
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.80
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

3,3-difluoro-N'-methylpiperidine-1-carboximidamide
CID 164647181
N'-(3,3-difluorocyclobutyl)azepane-1-carboximidamide;hydroiodide
CID 120514505
N',4-dicyclopropylpiperazine-1-carboximidamide
CID 62363225
3,3-difluoropyrrolidine-1-carboximidamide
CID 121200791
N'-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide
CID 115560251
N'-cyclopentyl-7,7-dimethyl-1,4-thiazepane-4-carboximidamide
CID 107455922
N-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
CID 176542819
N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide
CID 154494478
N'-cyclopropyl-7-azabicyclo[2.2.1]heptane-7-carboximidamide
CID 130804543
4,4-difluoropiperidine-1-carbothioamide
CID 45118489
3,3-difluoro-N'-[N'-(3,4,5-trimethoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 142741232
2-N'-cyclopropyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride
CID 140856266

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-3,3-difluoropyrrolidine-1-carboximidamide?
The IUPAC name of N'-cyclopropyl-3,3-difluoropyrrolidine-1-carboximidamide (CID 130690545) is N'-cyclopropyl-3,3-difluoropyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-3,3-difluoropyrrolidine-1-carboximidamide?
The canonical SMILES for N'-cyclopropyl-3,3-difluoropyrrolidine-1-carboximidamide is N/C(=N\C1CC1)N1CCC(F)(F)C1.
What is the InChIKey of N'-cyclopropyl-3,3-difluoropyrrolidine-1-carboximidamide?
The InChIKey is YMNIGINIWRJSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c9-8(10)3-4-13(5-8)7(11)12-6-1-2-6/h6H,1-5H2,(H2,11,12).
What are the key properties of N'-cyclopropyl-3,3-difluoropyrrolidine-1-carboximidamide?
N'-cyclopropyl-3,3-difluoropyrrolidine-1-carboximidamide has a molecular weight of 189.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-3,3-difluoropyrrolidine-1-carboximidamide is sourced from PubChem (CID 130690545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).