N-[(Z)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide

C6H11FN2 — CID 123336063

IUPACN-[(Z)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide
SMILESC/N=C/N/C(C)=C(/C)F
InChIInChI=1S/C6H11FN2/c1-5(7)6(2)9-4-8-3/h4H,1-3H3,(H,8,9)/b6-5-
InChIKeyLLRGNBCTAUVMIR-WAYWQWQTSA-N
MW130.17 g/mol
LogP1.46
Rot. Bonds2

About N-[(Z)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide

N-[(Z)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide (PubChem CID 123336063) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is N-[(Z)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(Z)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide
PubChem CID123336063
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC NameN-[(Z)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide
SMILESC/N=C/N/C(C)=C(/C)F
InChIInChI=1S/C6H11FN2/c1-5(7)6(2)9-4-8-3/h4H,1-3H3,(H,8,9)/b6-5-
InChIKeyLLRGNBCTAUVMIR-WAYWQWQTSA-N
XLogP1.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.46
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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Related Compounds

N-[(E)-1-aminoprop-1-en-2-yl]-N'-(1-fluoroethyl)methanimidamide
CID 173795794
Carbanide;5-methyl-1,4-dihydroimidazol-4-ide;tungsten(2+)
CID 54681562
N-but-2-en-2-yl-N'-methylmethanimidamide
CID 59874817
Carbanide;5-methyl-1,4-dihydroimidazol-4-ide;yttrium
CID 59919462
N'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide
CID 90315791
N-[(E)-but-2-en-2-yl]-N'-methylmethanimidamide
CID 90807212
N'-methyl-N-prop-1-en-2-ylmethanimidamide
CID 90883125
N-[(Z)-but-2-en-2-yl]-N'-methylmethanimidamide
CID 91073964
N'-methyl-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide
CID 118973315
N,N'-bis(prop-1-en-2-yl)methanimidamide
CID 123891901
N-[(Z)-1-chloro-1-(methylamino)prop-1-en-2-yl]-N'-methylmethanimidamide
CID 139364532
6-Methyl-1,4-dihydropyrimidin-5-amine
CID 142030297

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide?
The IUPAC name of N-[(Z)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide (CID 123336063) is N-[(Z)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(Z)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(Z)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide is C/N=C/N/C(C)=C(/C)F.
What is the InChIKey of N-[(Z)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide?
The InChIKey is LLRGNBCTAUVMIR-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H11FN2/c1-5(7)6(2)9-4-8-3/h4H,1-3H3,(H,8,9)/b6-5-.
What are the key properties of N-[(Z)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide?
N-[(Z)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide has a molecular weight of 130.17 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-fluorobut-2-en-2-yl]-N'-methylmethanimidamide is sourced from PubChem (CID 123336063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).