N-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]-N'-methylmethanimidamide

C8H13FN2 — CID 130240102

IUPACN-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]-N'-methylmethanimidamide
SMILESC/C=C\C(N/C=N/C)=C(/C)F
InChIInChI=1S/C8H13FN2/c1-4-5-8(7(2)9)11-6-10-3/h4-6H,1-3H3,(H,10,11)/b5-4-,8-7-
InChIKeyWUZHBDCMPYUSHA-UTOQUPLUSA-N
MW156.20 g/mol
LogP2.01
Rot. Bonds3

About N-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]-N'-methylmethanimidamide

N-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]-N'-methylmethanimidamide (PubChem CID 130240102) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is N-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]-N'-methylmethanimidamide
PubChem CID130240102
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC NameN-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]-N'-methylmethanimidamide
SMILESC/C=C\C(N/C=N/C)=C(/C)F
InChIInChI=1S/C8H13FN2/c1-4-5-8(7(2)9)11-6-10-3/h4-6H,1-3H3,(H,10,11)/b5-4-,8-7-
InChIKeyWUZHBDCMPYUSHA-UTOQUPLUSA-N
XLogP2.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]-N'-methylmethanimidamide?
The IUPAC name of N-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]-N'-methylmethanimidamide (CID 130240102) is N-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]-N'-methylmethanimidamide is C/C=C\C(N/C=N/C)=C(/C)F.
What is the InChIKey of N-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]-N'-methylmethanimidamide?
The InChIKey is WUZHBDCMPYUSHA-UTOQUPLUSA-N. The full InChI is InChI=1S/C8H13FN2/c1-4-5-8(7(2)9)11-6-10-3/h4-6H,1-3H3,(H,10,11)/b5-4-,8-7-.
What are the key properties of N-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]-N'-methylmethanimidamide?
N-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]-N'-methylmethanimidamide has a molecular weight of 156.20 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]-N'-methylmethanimidamide is sourced from PubChem (CID 130240102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).