N-[(2E)-4-chloropenta-2,4-dien-2-yl]-1-fluoropropan-2-imine

C8H11ClFN — CID 155402546

IUPACN-[(2E)-4-chloropenta-2,4-dien-2-yl]-1-fluoropropan-2-imine
SMILESC=C(Cl)/C=C(C)/N=C(\C)CF
InChIInChI=1S/C8H11ClFN/c1-6(9)4-7(2)11-8(3)5-10/h4H,1,5H2,2-3H3/b7-4+,11-8+
InChIKeyCUTUZNWEKWEZQL-VCABWLAWSA-N
MW175.63 g/mol
LogP3.07
Rot. Bonds3

About N-[(2E)-4-chloropenta-2,4-dien-2-yl]-1-fluoropropan-2-imine

N-[(2E)-4-chloropenta-2,4-dien-2-yl]-1-fluoropropan-2-imine (PubChem CID 155402546) has the molecular formula C8H11ClFN and a molecular weight of 175.63 g/mol. Its IUPAC name is N-[(2E)-4-chloropenta-2,4-dien-2-yl]-1-fluoropropan-2-imine.

Molecular Properties

Compound NameN-[(2E)-4-chloropenta-2,4-dien-2-yl]-1-fluoropropan-2-imine
PubChem CID155402546
Molecular FormulaC8H11ClFN
Molecular Weight175.63 g/mol
Exact Mass175.06
IUPAC NameN-[(2E)-4-chloropenta-2,4-dien-2-yl]-1-fluoropropan-2-imine
SMILESC=C(Cl)/C=C(C)/N=C(\C)CF
InChIInChI=1S/C8H11ClFN/c1-6(9)4-7(2)11-8(3)5-10/h4H,1,5H2,2-3H3/b7-4+,11-8+
InChIKeyCUTUZNWEKWEZQL-VCABWLAWSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.63
LogP ≤ 53.07
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
N-[(2Z)-4-fluoropenta-2,4-dien-2-yl]propan-2-imine
CID 142050176
N-[(1E,3E)-1-chloro-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]butan-2-imine
CID 173825972
N-(3-chloropenta-1,3-dien-2-yl)propan-2-imine
CID 124003711
N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl chloride
CID 137546544
N-[(2Z)-4-chloropenta-2,4-dien-2-yl]pentan-2-imine
CID 168972454

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-4-chloropenta-2,4-dien-2-yl]-1-fluoropropan-2-imine?
The IUPAC name of N-[(2E)-4-chloropenta-2,4-dien-2-yl]-1-fluoropropan-2-imine (CID 155402546) is N-[(2E)-4-chloropenta-2,4-dien-2-yl]-1-fluoropropan-2-imine.
What is the SMILES notation for N-[(2E)-4-chloropenta-2,4-dien-2-yl]-1-fluoropropan-2-imine?
The canonical SMILES for N-[(2E)-4-chloropenta-2,4-dien-2-yl]-1-fluoropropan-2-imine is C=C(Cl)/C=C(C)/N=C(\C)CF.
What is the InChIKey of N-[(2E)-4-chloropenta-2,4-dien-2-yl]-1-fluoropropan-2-imine?
The InChIKey is CUTUZNWEKWEZQL-VCABWLAWSA-N. The full InChI is InChI=1S/C8H11ClFN/c1-6(9)4-7(2)11-8(3)5-10/h4H,1,5H2,2-3H3/b7-4+,11-8+.
What are the key properties of N-[(2E)-4-chloropenta-2,4-dien-2-yl]-1-fluoropropan-2-imine?
N-[(2E)-4-chloropenta-2,4-dien-2-yl]-1-fluoropropan-2-imine has a molecular weight of 175.63 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-4-chloropenta-2,4-dien-2-yl]-1-fluoropropan-2-imine is sourced from PubChem (CID 155402546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).