N-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylethanimidamide

C8H13FN2 — CID 164878265

IUPACN-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylethanimidamide
SMILESC=C(C)/C(=C/F)N/C(C)=N/C
InChIInChI=1S/C8H13FN2/c1-6(2)8(5-9)11-7(3)10-4/h5H,1H2,2-4H3,(H,10,11)/b8-5-
InChIKeyDHSCSXORKQSIMT-YVMONPNESA-N
MW156.20 g/mol
LogP2.01
Rot. Bonds2

About N-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylethanimidamide

N-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylethanimidamide (PubChem CID 164878265) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is N-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylethanimidamide
PubChem CID164878265
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC NameN-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylethanimidamide
SMILESC=C(C)/C(=C/F)N/C(C)=N/C
InChIInChI=1S/C8H13FN2/c1-6(2)8(5-9)11-7(3)10-4/h5H,1H2,2-4H3,(H,10,11)/b8-5-
InChIKeyDHSCSXORKQSIMT-YVMONPNESA-N
XLogP2.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.01
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-but-1-en-2-yl-N'-methylethanimidamide
CID 89152931
N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)ethanimidamide
CID 91266873
2,5-dimethyl-6-methylidene-1H-pyrimidine
CID 141968414
N'-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)propanimidamide
CID 143760127

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylethanimidamide?
The IUPAC name of N-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylethanimidamide (CID 164878265) is N-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylethanimidamide.
What is the SMILES notation for N-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylethanimidamide?
The canonical SMILES for N-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylethanimidamide is C=C(C)/C(=C/F)N/C(C)=N/C.
What is the InChIKey of N-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylethanimidamide?
The InChIKey is DHSCSXORKQSIMT-YVMONPNESA-N. The full InChI is InChI=1S/C8H13FN2/c1-6(2)8(5-9)11-7(3)10-4/h5H,1H2,2-4H3,(H,10,11)/b8-5-.
What are the key properties of N-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylethanimidamide?
N-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylethanimidamide has a molecular weight of 156.20 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-fluoro-3-methylbuta-1,3-dien-2-yl]-N'-methylethanimidamide is sourced from PubChem (CID 164878265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).