N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl fluoride

C7H10FN — CID 155050849

IUPACN-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl fluoride
SMILESC=C/C=C(C)\N=C(/C)F
InChIInChI=1S/C7H10FN/c1-4-5-6(2)9-7(3)8/h4-5H,1H2,2-3H3/b6-5-,9-7+
InChIKeyQHHTUNLVZMRPCA-BZWSEGBZSA-N
MW127.16 g/mol
LogP2.46
Rot. Bonds2

About N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl fluoride

N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl fluoride (PubChem CID 155050849) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl fluoride.

Molecular Properties

Compound NameN-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl fluoride
PubChem CID155050849
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC NameN-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl fluoride
SMILESC=C/C=C(C)\N=C(/C)F
InChIInChI=1S/C7H10FN/c1-4-5-6(2)9-7(3)8/h4-5H,1H2,2-3H3/b6-5-,9-7+
InChIKeyQHHTUNLVZMRPCA-BZWSEGBZSA-N
XLogP2.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3E)-3-fluoropenta-1,3-dien-2-yl]propan-2-imine
CID 123336614
(Z)-N-prop-1-en-2-ylbut-2-enimidoyl fluoride
CID 126641624
N-[(2E)-4-fluoropenta-2,4-dien-2-yl]ethenimine
CID 130360998
N-[(2Z)-4-fluoropenta-2,4-dien-2-yl]propan-2-imine
CID 142050176
N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine
CID 144753304
N-prop-1-en-2-ylprop-2-enimidoyl fluoride
CID 144912391
N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]butan-2-imine
CID 153569940
N-[(2Z,4Z)-6-fluorohexa-2,4-dien-2-yl]methanimine
CID 154674774
N-[(3E)-4-fluorohexa-1,3,5-trien-3-yl]propan-2-imine
CID 155050623
N-[(2E,4Z)-3-fluorohexa-2,4-dien-2-yl]methanimine
CID 155095809
N-[(2Z,4E)-5-fluorohexa-2,4-dien-2-yl]methanimine
CID 156158427
N-[(2Z,4E)-4-fluorohexa-2,4-dien-2-yl]methanimine
CID 164071677

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl fluoride?
The IUPAC name of N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl fluoride (CID 155050849) is N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl fluoride.
What is the SMILES notation for N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl fluoride?
The canonical SMILES for N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl fluoride is C=C/C=C(C)\N=C(/C)F.
What is the InChIKey of N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl fluoride?
The InChIKey is QHHTUNLVZMRPCA-BZWSEGBZSA-N. The full InChI is InChI=1S/C7H10FN/c1-4-5-6(2)9-7(3)8/h4-5H,1H2,2-3H3/b6-5-,9-7+.
What are the key properties of N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl fluoride?
N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl fluoride has a molecular weight of 127.16 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl fluoride is sourced from PubChem (CID 155050849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).