N-(diaminomethylidene)-4,4-difluoropiperidine-1-carboximidamide

C7H13F2N5 — CID 122656871

IUPACN-(diaminomethylidene)-4,4-difluoropiperidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC(F)(F)CC1
InChIInChI=1S/C7H13F2N5/c8-7(9)1-3-14(4-2-7)6(12)13-5(10)11/h1-4H2,(H5,10,11,12,13)
InChIKeyFROXEWYWMWEUOF-UHFFFAOYSA-N
MW205.21 g/mol
LogP-0.07
Rot. Bonds

About N-(diaminomethylidene)-4,4-difluoropiperidine-1-carboximidamide

N-(diaminomethylidene)-4,4-difluoropiperidine-1-carboximidamide (PubChem CID 122656871) has the molecular formula C7H13F2N5 and a molecular weight of 205.21 g/mol. Its IUPAC name is N-(diaminomethylidene)-4,4-difluoropiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4,4-difluoropiperidine-1-carboximidamide
PubChem CID122656871
Molecular FormulaC7H13F2N5
Molecular Weight205.21 g/mol
Exact Mass205.11
IUPAC NameN-(diaminomethylidene)-4,4-difluoropiperidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC(F)(F)CC1
InChIInChI=1S/C7H13F2N5/c8-7(9)1-3-14(4-2-7)6(12)13-5(10)11/h1-4H2,(H5,10,11,12,13)
InChIKeyFROXEWYWMWEUOF-UHFFFAOYSA-N
XLogP-0.07
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-4,4-difluoropiperidine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-4,4-difluoropiperidine-1-carboximidamide (CID 122656871) is N-(diaminomethylidene)-4,4-difluoropiperidine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-4,4-difluoropiperidine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-4,4-difluoropiperidine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CCC(F)(F)CC1.
What is the InChIKey of N-(diaminomethylidene)-4,4-difluoropiperidine-1-carboximidamide?
The InChIKey is FROXEWYWMWEUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N5/c8-7(9)1-3-14(4-2-7)6(12)13-5(10)11/h1-4H2,(H5,10,11,12,13).
What are the key properties of N-(diaminomethylidene)-4,4-difluoropiperidine-1-carboximidamide?
N-(diaminomethylidene)-4,4-difluoropiperidine-1-carboximidamide has a molecular weight of 205.21 g/mol, XLogP of -0.07, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4,4-difluoropiperidine-1-carboximidamide is sourced from PubChem (CID 122656871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).