methyl 2-fluoro-2-methylnon-8-enoate

C11H19FO2 — CID 146260741

IUPACmethyl 2-fluoro-2-methylnon-8-enoate
SMILESC=CCCCCCC(C)(F)C(=O)OC
InChIInChI=1S/C11H19FO2/c1-4-5-6-7-8-9-11(2,12)10(13)14-3/h4H,1,5-9H2,2-3H3
InChIKeyNEFRLISKYDDDJU-UHFFFAOYSA-N
MW202.27 g/mol
LogP3.02
Rot. Bonds7

About methyl 2-fluoro-2-methylnon-8-enoate

methyl 2-fluoro-2-methylnon-8-enoate (PubChem CID 146260741) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is methyl 2-fluoro-2-methylnon-8-enoate.

Molecular Properties

Compound Namemethyl 2-fluoro-2-methylnon-8-enoate
PubChem CID146260741
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Namemethyl 2-fluoro-2-methylnon-8-enoate
SMILESC=CCCCCCC(C)(F)C(=O)OC
InChIInChI=1S/C11H19FO2/c1-4-5-6-7-8-9-11(2,12)10(13)14-3/h4H,1,5-9H2,2-3H3
InChIKeyNEFRLISKYDDDJU-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxycarbonyl-2-methylnon-8-enoic acid
CID 107010769
methyl (2S)-2-(dimethylamino)-2-methylnon-8-enoate
CID 58307948
methyl 2-(hex-5-enylamino)-2-methylpropanoate
CID 151175914
7-fluoro-7-methyloct-1-ene
CID 87159398
methyl 2-amino-2-(4-fluorophenyl)non-8-enoate
CID 66915424
diethyl 2-hept-6-enyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate
CID 102484738
2-bromo-2-methyltetradec-13-enoic acid
CID 87350164
(2R)-2-methyl-2-(methylamino)dec-9-enoic acid
CID 131871099
2-ethyl-2-fluoronon-8-enoic acid
CID 166852620
ethyl 2-ethenyl-2-methylnon-8-enoate
CID 107007961
methyl propanoate;undec-10-enyl 2-bromo-2-methyltetradec-13-enoate
CID 174552627
8,8,8-trifluorooct-1-ene
CID 11008282

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-2-methylnon-8-enoate?
The IUPAC name of methyl 2-fluoro-2-methylnon-8-enoate (CID 146260741) is methyl 2-fluoro-2-methylnon-8-enoate.
What is the SMILES notation for methyl 2-fluoro-2-methylnon-8-enoate?
The canonical SMILES for methyl 2-fluoro-2-methylnon-8-enoate is C=CCCCCCC(C)(F)C(=O)OC.
What is the InChIKey of methyl 2-fluoro-2-methylnon-8-enoate?
The InChIKey is NEFRLISKYDDDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2/c1-4-5-6-7-8-9-11(2,12)10(13)14-3/h4H,1,5-9H2,2-3H3.
What are the key properties of methyl 2-fluoro-2-methylnon-8-enoate?
methyl 2-fluoro-2-methylnon-8-enoate has a molecular weight of 202.27 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-2-methylnon-8-enoate is sourced from PubChem (CID 146260741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).