[(1E,3Z,5E)-6-fluorohepta-1,3,5-trienyl]carbamic acid

C8H10FNO2 — CID 89343489

IUPAC[(1E,3Z,5E)-6-fluorohepta-1,3,5-trienyl]carbamic acid
SMILESC/C(F)=C\C=C/C=C/NC(=O)O
InChIInChI=1S/C8H10FNO2/c1-7(9)5-3-2-4-6-10-8(11)12/h2-6,10H,1H3,(H,11,12)/b3-2-,6-4+,7-5+
InChIKeyIOPSMDLUTYUFTG-QFXLCQRPSA-N
MW171.17 g/mol
LogP2.20
Rot. Bonds3

About [(1E,3Z,5E)-6-fluorohepta-1,3,5-trienyl]carbamic acid

[(1E,3Z,5E)-6-fluorohepta-1,3,5-trienyl]carbamic acid (PubChem CID 89343489) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is [(1E,3Z,5E)-6-fluorohepta-1,3,5-trienyl]carbamic acid.

Molecular Properties

Compound Name[(1E,3Z,5E)-6-fluorohepta-1,3,5-trienyl]carbamic acid
PubChem CID89343489
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name[(1E,3Z,5E)-6-fluorohepta-1,3,5-trienyl]carbamic acid
SMILESC/C(F)=C\C=C/C=C/NC(=O)O
InChIInChI=1S/C8H10FNO2/c1-7(9)5-3-2-4-6-10-8(11)12/h2-6,10H,1H3,(H,11,12)/b3-2-,6-4+,7-5+
InChIKeyIOPSMDLUTYUFTG-QFXLCQRPSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 52.20
H-Bond Donors ≤ 52
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 [(1E,3Z,5E)-6-fluorohepta-1,3,5-trienyl]carbamic acid?
The IUPAC name of [(1E,3Z,5E)-6-fluorohepta-1,3,5-trienyl]carbamic acid (CID 89343489) is [(1E,3Z,5E)-6-fluorohepta-1,3,5-trienyl]carbamic acid.
What is the SMILES notation for [(1E,3Z,5E)-6-fluorohepta-1,3,5-trienyl]carbamic acid?
The canonical SMILES for [(1E,3Z,5E)-6-fluorohepta-1,3,5-trienyl]carbamic acid is C/C(F)=C\C=C/C=C/NC(=O)O.
What is the InChIKey of [(1E,3Z,5E)-6-fluorohepta-1,3,5-trienyl]carbamic acid?
The InChIKey is IOPSMDLUTYUFTG-QFXLCQRPSA-N. The full InChI is InChI=1S/C8H10FNO2/c1-7(9)5-3-2-4-6-10-8(11)12/h2-6,10H,1H3,(H,11,12)/b3-2-,6-4+,7-5+.
What are the key properties of [(1E,3Z,5E)-6-fluorohepta-1,3,5-trienyl]carbamic acid?
[(1E,3Z,5E)-6-fluorohepta-1,3,5-trienyl]carbamic acid has a molecular weight of 171.17 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z,5E)-6-fluorohepta-1,3,5-trienyl]carbamic acid is sourced from PubChem (CID 89343489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).