non-2-enoyl fluoride

C9H15FO — CID 85320706

IUPACnon-2-enoyl fluoride
SMILESCCCCCCC=CC(=O)F
InChIInChI=1S/C9H15FO/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3
InChIKeyYJHGLISIEAKQHZ-UHFFFAOYSA-N
MW158.22 g/mol
LogP3.01
Rot. Bonds6

About non-2-enoyl fluoride

non-2-enoyl fluoride (PubChem CID 85320706) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is non-2-enoyl fluoride.

Molecular Properties

Compound Namenon-2-enoyl fluoride
PubChem CID85320706
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Namenon-2-enoyl fluoride
SMILESCCCCCCC=CC(=O)F
InChIInChI=1S/C9H15FO/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3
InChIKeyYJHGLISIEAKQHZ-UHFFFAOYSA-N
XLogP3.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

hept-2-enoyl fluoride
CID 162347019
(E)-oct-2-enoic acid;zirconium
CID 89456417
undec-2-enoic acid
CID 519180
bis(heptadec-2-enoic acid);zinc
CID 172555643
icosa-2,11-dienoic acid
CID 54537818
(Z)-non-2-enamide
CID 97047009
icosa-2,12-dienoic acid
CID 174301675
octadec-2-enoic acid;hydrochloride
CID 175477245
alumane;hexadec-2-enoic acid
CID 174818671
copper;heptadec-2-enoic acid
CID 174878538
(Z)-oct-2-enoic acid
CID 5282713
(E)-icos-11-en-10-one
CID 101359358

Frequently Asked Questions

What is the IUPAC name of non-2-enoyl fluoride?
The IUPAC name of non-2-enoyl fluoride (CID 85320706) is non-2-enoyl fluoride.
What is the SMILES notation for non-2-enoyl fluoride?
The canonical SMILES for non-2-enoyl fluoride is CCCCCCC=CC(=O)F.
What is the InChIKey of non-2-enoyl fluoride?
The InChIKey is YJHGLISIEAKQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3.
What are the key properties of non-2-enoyl fluoride?
non-2-enoyl fluoride has a molecular weight of 158.22 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-2-enoyl fluoride is sourced from PubChem (CID 85320706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).