methyl 3-fluoro-6-prop-2-enoyloxyhexanoate

C10H15FO4 — CID 154715261

IUPACmethyl 3-fluoro-6-prop-2-enoyloxyhexanoate
SMILESC=CC(=O)OCCCC(F)CC(=O)OC
InChIInChI=1S/C10H15FO4/c1-3-9(12)15-6-4-5-8(11)7-10(13)14-2/h3,8H,1,4-7H2,2H3
InChIKeyNKMYHPFUALZBOK-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.40
Rot. Bonds7

About methyl 3-fluoro-6-prop-2-enoyloxyhexanoate

methyl 3-fluoro-6-prop-2-enoyloxyhexanoate (PubChem CID 154715261) has the molecular formula C10H15FO4 and a molecular weight of 218.22 g/mol. Its IUPAC name is methyl 3-fluoro-6-prop-2-enoyloxyhexanoate.

Molecular Properties

Compound Namemethyl 3-fluoro-6-prop-2-enoyloxyhexanoate
PubChem CID154715261
Molecular FormulaC10H15FO4
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Namemethyl 3-fluoro-6-prop-2-enoyloxyhexanoate
SMILESC=CC(=O)OCCCC(F)CC(=O)OC
InChIInChI=1S/C10H15FO4/c1-3-9(12)15-6-4-5-8(11)7-10(13)14-2/h3,8H,1,4-7H2,2H3
InChIKeyNKMYHPFUALZBOK-UHFFFAOYSA-N
XLogP1.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-fluoro-6-prop-2-enoyloxyhexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(dimethylamino)pentyl prop-2-enoate
CID 159489055
methyl 3-prop-2-enoyloxypropanoate
CID 14496497
methyl 3-fluorononanoate
CID 57115724
4,4-bis(2-methoxyethoxy)butyl prop-2-enoate
CID 87318411
4-aminohexyl prop-2-enoate
CID 91140688
4-methylhexyl prop-2-enoate
CID 58980362
4-methoxybutyl prop-2-enoate
CID 22321356
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
4-sulfanylhexyl prop-2-enoate
CID 141236879
4-hydroxyoctyl prop-2-enoate
CID 142754995

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-6-prop-2-enoyloxyhexanoate?
The IUPAC name of methyl 3-fluoro-6-prop-2-enoyloxyhexanoate (CID 154715261) is methyl 3-fluoro-6-prop-2-enoyloxyhexanoate.
What is the SMILES notation for methyl 3-fluoro-6-prop-2-enoyloxyhexanoate?
The canonical SMILES for methyl 3-fluoro-6-prop-2-enoyloxyhexanoate is C=CC(=O)OCCCC(F)CC(=O)OC.
What is the InChIKey of methyl 3-fluoro-6-prop-2-enoyloxyhexanoate?
The InChIKey is NKMYHPFUALZBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO4/c1-3-9(12)15-6-4-5-8(11)7-10(13)14-2/h3,8H,1,4-7H2,2H3.
What are the key properties of methyl 3-fluoro-6-prop-2-enoyloxyhexanoate?
methyl 3-fluoro-6-prop-2-enoyloxyhexanoate has a molecular weight of 218.22 g/mol, XLogP of 1.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-6-prop-2-enoyloxyhexanoate is sourced from PubChem (CID 154715261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).