2-(fluoromethyl)-5-iminohex-2-enamide

C7H11FN2O — CID 123968663

IUPAC2-(fluoromethyl)-5-iminohex-2-enamide
SMILES[H]/N=C(\C)CC=C(CF)C(N)=O
InChIInChI=1S/C7H11FN2O/c1-5(9)2-3-6(4-8)7(10)11/h3,9H,2,4H2,1H3,(H2,10,11)/b6-3?,9-5+
InChIKeyJRGLPGWMOJUNBK-WVTYYYJVSA-N
MW158.18 g/mol
LogP0.80
Rot. Bonds4

About 2-(fluoromethyl)-5-iminohex-2-enamide

2-(fluoromethyl)-5-iminohex-2-enamide (PubChem CID 123968663) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-(fluoromethyl)-5-iminohex-2-enamide.

Molecular Properties

Compound Name2-(fluoromethyl)-5-iminohex-2-enamide
PubChem CID123968663
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name2-(fluoromethyl)-5-iminohex-2-enamide
SMILES[H]/N=C(\C)CC=C(CF)C(N)=O
InChIInChI=1S/C7H11FN2O/c1-5(9)2-3-6(4-8)7(10)11/h3,9H,2,4H2,1H3,(H2,10,11)/b6-3?,9-5+
InChIKeyJRGLPGWMOJUNBK-WVTYYYJVSA-N
XLogP0.80
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-ethanimidoyl-4-fluoropenta-2,4-dienamide
CID 123637841
(E)-5,5-difluoro-4-imino-2-methylhept-2-enamide
CID 156450838
(E)-4-imino-2-(trifluoromethyl)hex-2-enamide
CID 171493586
(Z,2E)-2-ethylidene-3-iminohex-4-enamide
CID 90756731
(2E)-2-ethylidene-3-iminopent-4-enamide
CID 123362408
(E)-2-ethanimidoylpent-2-enamide
CID 123461047
(2Z,5E)-4-imino-5-methanimidoyl-2-methylhepta-2,5-dienamide
CID 145260236
(Z)-4-imino-3-methylpent-2-enamide
CID 171525331
(E)-4-imino-2-methyl-5-oxohex-2-enamide
CID 143588526

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-5-iminohex-2-enamide?
The IUPAC name of 2-(fluoromethyl)-5-iminohex-2-enamide (CID 123968663) is 2-(fluoromethyl)-5-iminohex-2-enamide.
What is the SMILES notation for 2-(fluoromethyl)-5-iminohex-2-enamide?
The canonical SMILES for 2-(fluoromethyl)-5-iminohex-2-enamide is [H]/N=C(\C)CC=C(CF)C(N)=O.
What is the InChIKey of 2-(fluoromethyl)-5-iminohex-2-enamide?
The InChIKey is JRGLPGWMOJUNBK-WVTYYYJVSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-5(9)2-3-6(4-8)7(10)11/h3,9H,2,4H2,1H3,(H2,10,11)/b6-3?,9-5+.
What are the key properties of 2-(fluoromethyl)-5-iminohex-2-enamide?
2-(fluoromethyl)-5-iminohex-2-enamide has a molecular weight of 158.18 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-5-iminohex-2-enamide is sourced from PubChem (CID 123968663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).