N'-(4,4,4-trifluorobutyl)cyclopropanecarboximidamide

C8H13F3N2 — CID 115522336

IUPACN'-(4,4,4-trifluorobutyl)cyclopropanecarboximidamide
SMILESN/C(=N\CCCC(F)(F)F)C1CC1
InChIInChI=1S/C8H13F3N2/c9-8(10,11)4-1-5-13-7(12)6-2-3-6/h6H,1-5H2,(H2,12,13)
InChIKeyKBMWLRKKXWEVND-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.10
Rot. Bonds4

About N'-(4,4,4-trifluorobutyl)cyclopropanecarboximidamide

N'-(4,4,4-trifluorobutyl)cyclopropanecarboximidamide (PubChem CID 115522336) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is N'-(4,4,4-trifluorobutyl)cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-(4,4,4-trifluorobutyl)cyclopropanecarboximidamide
PubChem CID115522336
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC NameN'-(4,4,4-trifluorobutyl)cyclopropanecarboximidamide
SMILESN/C(=N\CCCC(F)(F)F)C1CC1
InChIInChI=1S/C8H13F3N2/c9-8(10,11)4-1-5-13-7(12)6-2-3-6/h6H,1-5H2,(H2,12,13)
InChIKeyKBMWLRKKXWEVND-UHFFFAOYSA-N
XLogP2.10
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-(4,4,4-trifluorobutyl)cyclopropanecarboximidamide?
The IUPAC name of N'-(4,4,4-trifluorobutyl)cyclopropanecarboximidamide (CID 115522336) is N'-(4,4,4-trifluorobutyl)cyclopropanecarboximidamide.
What is the SMILES notation for N'-(4,4,4-trifluorobutyl)cyclopropanecarboximidamide?
The canonical SMILES for N'-(4,4,4-trifluorobutyl)cyclopropanecarboximidamide is N/C(=N\CCCC(F)(F)F)C1CC1.
What is the InChIKey of N'-(4,4,4-trifluorobutyl)cyclopropanecarboximidamide?
The InChIKey is KBMWLRKKXWEVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c9-8(10,11)4-1-5-13-7(12)6-2-3-6/h6H,1-5H2,(H2,12,13).
What are the key properties of N'-(4,4,4-trifluorobutyl)cyclopropanecarboximidamide?
N'-(4,4,4-trifluorobutyl)cyclopropanecarboximidamide has a molecular weight of 194.20 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,4,4-trifluorobutyl)cyclopropanecarboximidamide is sourced from PubChem (CID 115522336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).