N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride

C9H16ClF2N5 — CID 176520487

IUPACN-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N/C(N)=N/C1CC1)N1CCC(F)(F)C1
InChIInChI=1S/C9H15F2N5.ClH/c10-9(11)3-4-16(5-9)8(13)15-7(12)14-6-1-2-6;/h6H,1-5H2,(H4,12,13,14,15);1H
InChIKeyQZVSTSXSXMIMGE-UHFFFAOYSA-N
MW267.71 g/mol
LogP0.75
Rot. Bonds1

About N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride

N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride (PubChem CID 176520487) has the molecular formula C9H16ClF2N5 and a molecular weight of 267.71 g/mol. Its IUPAC name is N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride
PubChem CID176520487
Molecular FormulaC9H16ClF2N5
Molecular Weight267.71 g/mol
Exact Mass267.11
IUPAC NameN-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N/C(N)=N/C1CC1)N1CCC(F)(F)C1
InChIInChI=1S/C9H15F2N5.ClH/c10-9(11)3-4-16(5-9)8(13)15-7(12)14-6-1-2-6;/h6H,1-5H2,(H4,12,13,14,15);1H
InChIKeyQZVSTSXSXMIMGE-UHFFFAOYSA-N
XLogP0.75
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 50.75
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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Frequently Asked Questions

What is the IUPAC name of N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride?
The IUPAC name of N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride (CID 176520487) is N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N/C(N)=N/C1CC1)N1CCC(F)(F)C1.
What is the InChIKey of N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride?
The InChIKey is QZVSTSXSXMIMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N5.ClH/c10-9(11)3-4-16(5-9)8(13)15-7(12)14-6-1-2-6;/h6H,1-5H2,(H4,12,13,14,15);1H.
What are the key properties of N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride?
N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride has a molecular weight of 267.71 g/mol, XLogP of 0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-cyclopropylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 176520487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).