N-[(5Z)-7-fluorohepta-1,5-dien-3-yl]formamide

C8H12FNO — CID 89214742

IUPACN-[(5Z)-7-fluorohepta-1,5-dien-3-yl]formamide
SMILESC=CC(C/C=C\CF)NC=O
InChIInChI=1S/C8H12FNO/c1-2-8(10-7-11)5-3-4-6-9/h2-4,7-8H,1,5-6H2,(H,10,11)/b4-3-
InChIKeyRGGRQSDMAQMNPS-ARJAWSKDSA-N
MW157.19 g/mol
LogP1.20
Rot. Bonds6

About N-[(5Z)-7-fluorohepta-1,5-dien-3-yl]formamide

N-[(5Z)-7-fluorohepta-1,5-dien-3-yl]formamide (PubChem CID 89214742) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is N-[(5Z)-7-fluorohepta-1,5-dien-3-yl]formamide.

Molecular Properties

Compound NameN-[(5Z)-7-fluorohepta-1,5-dien-3-yl]formamide
PubChem CID89214742
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC NameN-[(5Z)-7-fluorohepta-1,5-dien-3-yl]formamide
SMILESC=CC(C/C=C\CF)NC=O
InChIInChI=1S/C8H12FNO/c1-2-8(10-7-11)5-3-4-6-9/h2-4,7-8H,1,5-6H2,(H,10,11)/b4-3-
InChIKeyRGGRQSDMAQMNPS-ARJAWSKDSA-N
XLogP1.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-7-fluorohepta-1,5-dien-3-yl]formamide?
The IUPAC name of N-[(5Z)-7-fluorohepta-1,5-dien-3-yl]formamide (CID 89214742) is N-[(5Z)-7-fluorohepta-1,5-dien-3-yl]formamide.
What is the SMILES notation for N-[(5Z)-7-fluorohepta-1,5-dien-3-yl]formamide?
The canonical SMILES for N-[(5Z)-7-fluorohepta-1,5-dien-3-yl]formamide is C=CC(C/C=C\CF)NC=O.
What is the InChIKey of N-[(5Z)-7-fluorohepta-1,5-dien-3-yl]formamide?
The InChIKey is RGGRQSDMAQMNPS-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H12FNO/c1-2-8(10-7-11)5-3-4-6-9/h2-4,7-8H,1,5-6H2,(H,10,11)/b4-3-.
What are the key properties of N-[(5Z)-7-fluorohepta-1,5-dien-3-yl]formamide?
N-[(5Z)-7-fluorohepta-1,5-dien-3-yl]formamide has a molecular weight of 157.19 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-7-fluorohepta-1,5-dien-3-yl]formamide is sourced from PubChem (CID 89214742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).