hept-2-enoyl fluoride

C7H11FO — CID 162347019

IUPAChept-2-enoyl fluoride
SMILESCCCCC=CC(=O)F
InChIInChI=1S/C7H11FO/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3
InChIKeyDOKPVMUPQZZKMM-UHFFFAOYSA-N
MW130.16 g/mol
LogP2.23
Rot. Bonds4

About hept-2-enoyl fluoride

hept-2-enoyl fluoride (PubChem CID 162347019) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is hept-2-enoyl fluoride.

Molecular Properties

Compound Namehept-2-enoyl fluoride
PubChem CID162347019
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Namehept-2-enoyl fluoride
SMILESCCCCC=CC(=O)F
InChIInChI=1S/C7H11FO/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3
InChIKeyDOKPVMUPQZZKMM-UHFFFAOYSA-N
XLogP2.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 52.23
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

non-2-enoyl fluoride
CID 85320706
6-fluorotrideca-5,8-dien-7-one
CID 85312350
methane;oct-3-en-2-one
CID 175702789
CID 158204021
CID 158204021
(E)-oct-2-enoic acid;zirconium
CID 89456417
calcium bis(hept-2-enoate)
CID 141143408
zinc;hept-2-enoic acid;oxygen(2-)
CID 160568459
hept-2-enamide;dihydrochloride
CID 142841404
(2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid
CID 21286858
hept-3-en-2-one;oct-3-en-2-one
CID 159843047
cyclopentane;(E)-hept-2-enoic acid
CID 66887361
methyl (E)-hept-2-enoate
CID 5368087

Frequently Asked Questions

What is the IUPAC name of hept-2-enoyl fluoride?
The IUPAC name of hept-2-enoyl fluoride (CID 162347019) is hept-2-enoyl fluoride.
What is the SMILES notation for hept-2-enoyl fluoride?
The canonical SMILES for hept-2-enoyl fluoride is CCCCC=CC(=O)F.
What is the InChIKey of hept-2-enoyl fluoride?
The InChIKey is DOKPVMUPQZZKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3.
What are the key properties of hept-2-enoyl fluoride?
hept-2-enoyl fluoride has a molecular weight of 130.16 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-2-enoyl fluoride is sourced from PubChem (CID 162347019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).