1-(trifluoromethyl)cyclopropane-1-carboximidamide

C5H7F3N2 — CID 155892743

IUPAC1-(trifluoromethyl)cyclopropane-1-carboximidamide
SMILES[H]/N=C(\N)C1(C(F)(F)F)CC1
InChIInChI=1S/C5H7F3N2/c6-5(7,8)4(1-2-4)3(9)10/h1-2H2,(H3,9,10)
InChIKeyJCNUYZCPMBKVEH-UHFFFAOYSA-N
MW152.12 g/mol
LogP1.26
Rot. Bonds1

About 1-(trifluoromethyl)cyclopropane-1-carboximidamide

1-(trifluoromethyl)cyclopropane-1-carboximidamide (PubChem CID 155892743) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is 1-(trifluoromethyl)cyclopropane-1-carboximidamide.

Molecular Properties

Compound Name1-(trifluoromethyl)cyclopropane-1-carboximidamide
PubChem CID155892743
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name1-(trifluoromethyl)cyclopropane-1-carboximidamide
SMILES[H]/N=C(\N)C1(C(F)(F)F)CC1
InChIInChI=1S/C5H7F3N2/c6-5(7,8)4(1-2-4)3(9)10/h1-2H2,(H3,9,10)
InChIKeyJCNUYZCPMBKVEH-UHFFFAOYSA-N
XLogP1.26
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 51.26
H-Bond Donors ≤ 52
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

CID 59650617
CID 59650617
N-hydroxy-1-trifluoromethyl-cyclopropanecarboxamidine
CID 72347658
1-Fluorocyclopropanecarboxamidine
CID 142606732
1-(Trifluoromethyl)cyclopropane-1-carboximidamide hydrochloride
CID 155892742
2-Cyclopropyl-2,2-difluoroethanimidamide
CID 115011276
n'-Amino-1-(difluoromethyl)cyclopropane-1-carboximidamide
CID 164661149
N'-hydroxy-1-(trifluoromethyl)cyclopropane-1-carboximidamide
CID 165506511

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)cyclopropane-1-carboximidamide?
The IUPAC name of 1-(trifluoromethyl)cyclopropane-1-carboximidamide (CID 155892743) is 1-(trifluoromethyl)cyclopropane-1-carboximidamide.
What is the SMILES notation for 1-(trifluoromethyl)cyclopropane-1-carboximidamide?
The canonical SMILES for 1-(trifluoromethyl)cyclopropane-1-carboximidamide is [H]/N=C(\N)C1(C(F)(F)F)CC1.
What is the InChIKey of 1-(trifluoromethyl)cyclopropane-1-carboximidamide?
The InChIKey is JCNUYZCPMBKVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2/c6-5(7,8)4(1-2-4)3(9)10/h1-2H2,(H3,9,10).
What are the key properties of 1-(trifluoromethyl)cyclopropane-1-carboximidamide?
1-(trifluoromethyl)cyclopropane-1-carboximidamide has a molecular weight of 152.12 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)cyclopropane-1-carboximidamide is sourced from PubChem (CID 155892743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).