N-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]propanamide

C9H12FNO — CID 145422849

IUPACN-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]propanamide
SMILESC=C/C(F)=C(\C=C)NC(=O)CC
InChIInChI=1S/C9H12FNO/c1-4-7(10)8(5-2)11-9(12)6-3/h4-5H,1-2,6H2,3H3,(H,11,12)/b8-7-
InChIKeyYAESRXGMHKZZIR-FPLPWBNLSA-N
MW169.20 g/mol
LogP2.07
Rot. Bonds4

About N-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]propanamide

N-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]propanamide (PubChem CID 145422849) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is N-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]propanamide
PubChem CID145422849
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC NameN-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]propanamide
SMILESC=C/C(F)=C(\C=C)NC(=O)CC
InChIInChI=1S/C9H12FNO/c1-4-7(10)8(5-2)11-9(12)6-3/h4-5H,1-2,6H2,3H3,(H,11,12)/b8-7-
InChIKeyYAESRXGMHKZZIR-FPLPWBNLSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 52.07
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-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]propanamide?
The IUPAC name of N-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]propanamide (CID 145422849) is N-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]propanamide.
What is the SMILES notation for N-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]propanamide?
The canonical SMILES for N-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]propanamide is C=C/C(F)=C(\C=C)NC(=O)CC.
What is the InChIKey of N-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]propanamide?
The InChIKey is YAESRXGMHKZZIR-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H12FNO/c1-4-7(10)8(5-2)11-9(12)6-3/h4-5H,1-2,6H2,3H3,(H,11,12)/b8-7-.
What are the key properties of N-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]propanamide?
N-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]propanamide has a molecular weight of 169.20 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]propanamide is sourced from PubChem (CID 145422849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).