N'-butan-2-yl-2-fluoroethanimidamide

C6H13FN2 — CID 123306588

IUPACN'-butan-2-yl-2-fluoroethanimidamide
SMILESCCC(C)/N=C(/N)CF
InChIInChI=1S/C6H13FN2/c1-3-5(2)9-6(8)4-7/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyITOOYTIWIWGHSR-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.11
Rot. Bonds3

About N'-butan-2-yl-2-fluoroethanimidamide

N'-butan-2-yl-2-fluoroethanimidamide (PubChem CID 123306588) has the molecular formula C6H13FN2 and a molecular weight of 132.18 g/mol. Its IUPAC name is N'-butan-2-yl-2-fluoroethanimidamide.

Molecular Properties

Compound NameN'-butan-2-yl-2-fluoroethanimidamide
PubChem CID123306588
Molecular FormulaC6H13FN2
Molecular Weight132.18 g/mol
Exact Mass132.11
IUPAC NameN'-butan-2-yl-2-fluoroethanimidamide
SMILESCCC(C)/N=C(/N)CF
InChIInChI=1S/C6H13FN2/c1-3-5(2)9-6(8)4-7/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKeyITOOYTIWIWGHSR-UHFFFAOYSA-N
XLogP1.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.11
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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Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-2-fluoroethanimidamide?
The IUPAC name of N'-butan-2-yl-2-fluoroethanimidamide (CID 123306588) is N'-butan-2-yl-2-fluoroethanimidamide.
What is the SMILES notation for N'-butan-2-yl-2-fluoroethanimidamide?
The canonical SMILES for N'-butan-2-yl-2-fluoroethanimidamide is CCC(C)/N=C(/N)CF.
What is the InChIKey of N'-butan-2-yl-2-fluoroethanimidamide?
The InChIKey is ITOOYTIWIWGHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2/c1-3-5(2)9-6(8)4-7/h5H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of N'-butan-2-yl-2-fluoroethanimidamide?
N'-butan-2-yl-2-fluoroethanimidamide has a molecular weight of 132.18 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-2-fluoroethanimidamide is sourced from PubChem (CID 123306588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).