N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide

C9H14FNO — CID 143108414

IUPACN-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide
SMILESCCC(=O)N/C(C)=C/C=C(\C)F
InChIInChI=1S/C9H14FNO/c1-4-9(12)11-8(3)6-5-7(2)10/h5-6H,4H2,1-3H3,(H,11,12)/b7-5+,8-6+
InChIKeyZSYCNZXRZQGCFN-KQQUZDAGSA-N
MW171.21 g/mol
LogP2.29
Rot. Bonds3

About N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide

N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide (PubChem CID 143108414) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide
PubChem CID143108414
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC NameN-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide
SMILESCCC(=O)N/C(C)=C/C=C(\C)F
InChIInChI=1S/C9H14FNO/c1-4-9(12)11-8(3)6-5-7(2)10/h5-6H,4H2,1-3H3,(H,11,12)/b7-5+,8-6+
InChIKeyZSYCNZXRZQGCFN-KQQUZDAGSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide?
The IUPAC name of N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide (CID 143108414) is N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide.
What is the SMILES notation for N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide?
The canonical SMILES for N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide is CCC(=O)N/C(C)=C/C=C(\C)F.
What is the InChIKey of N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide?
The InChIKey is ZSYCNZXRZQGCFN-KQQUZDAGSA-N. The full InChI is InChI=1S/C9H14FNO/c1-4-9(12)11-8(3)6-5-7(2)10/h5-6H,4H2,1-3H3,(H,11,12)/b7-5+,8-6+.
What are the key properties of N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide?
N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide has a molecular weight of 171.21 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]propanamide is sourced from PubChem (CID 143108414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).