N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide

C9H14FNO — CID 88935026

IUPACN-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide
SMILESC/C=C(\C=C/CF)CNC(C)=O
InChIInChI=1S/C9H14FNO/c1-3-9(5-4-6-10)7-11-8(2)12/h3-5H,6-7H2,1-2H3,(H,11,12)/b5-4-,9-3+
InChIKeyAWNGWDYPHPDNEO-SMPMWSNWSA-N
MW171.21 g/mol
LogP1.59
Rot. Bonds4

About N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide

N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide (PubChem CID 88935026) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide
PubChem CID88935026
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC NameN-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide
SMILESC/C=C(\C=C/CF)CNC(C)=O
InChIInChI=1S/C9H14FNO/c1-3-9(5-4-6-10)7-11-8(2)12/h3-5H,6-7H2,1-2H3,(H,11,12)/b5-4-,9-3+
InChIKeyAWNGWDYPHPDNEO-SMPMWSNWSA-N
XLogP1.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.59
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-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide?
The IUPAC name of N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide (CID 88935026) is N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide.
What is the SMILES notation for N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide?
The canonical SMILES for N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide is C/C=C(\C=C/CF)CNC(C)=O.
What is the InChIKey of N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide?
The InChIKey is AWNGWDYPHPDNEO-SMPMWSNWSA-N. The full InChI is InChI=1S/C9H14FNO/c1-3-9(5-4-6-10)7-11-8(2)12/h3-5H,6-7H2,1-2H3,(H,11,12)/b5-4-,9-3+.
What are the key properties of N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide?
N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide has a molecular weight of 171.21 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide is sourced from PubChem (CID 88935026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).