butyl 3-fluoro-2-methylidenepentanoate

C10H17FO2 — CID 175124553

IUPACbutyl 3-fluoro-2-methylidenepentanoate
SMILESC=C(C(=O)OCCCC)C(F)CC
InChIInChI=1S/C10H17FO2/c1-4-6-7-13-10(12)8(3)9(11)5-2/h9H,3-7H2,1-2H3
InChIKeyXOXCOBHSGMUEKJ-UHFFFAOYSA-N
MW188.24 g/mol
LogP2.63
Rot. Bonds6

About butyl 3-fluoro-2-methylidenepentanoate

butyl 3-fluoro-2-methylidenepentanoate (PubChem CID 175124553) has the molecular formula C10H17FO2 and a molecular weight of 188.24 g/mol. Its IUPAC name is butyl 3-fluoro-2-methylidenepentanoate.

Molecular Properties

Compound Namebutyl 3-fluoro-2-methylidenepentanoate
PubChem CID175124553
Molecular FormulaC10H17FO2
Molecular Weight188.24 g/mol
Exact Mass188.12
IUPAC Namebutyl 3-fluoro-2-methylidenepentanoate
SMILESC=C(C(=O)OCCCC)C(F)CC
InChIInChI=1S/C10H17FO2/c1-4-6-7-13-10(12)8(3)9(11)5-2/h9H,3-7H2,1-2H3
InChIKeyXOXCOBHSGMUEKJ-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl 3,4-difluoro-2-methylidenebutanoate
CID 19901772
octyl 3-methyl-2-methylidenebutanoate
CID 139998259
butyl 2-hydroxyprop-2-enoate
CID 18317140
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
butyl 2-methylprop-2-enoate;ethene
CID 158758814
butyl 2-[fluoro-[4-(trifluoromethyl)phenyl]methyl]prop-2-enoate
CID 165388590
propyl 4-ethyl-3-hydroxy-2-methylideneoctanoate
CID 87776726
2-butoxycarbonylprop-2-enoic acid
CID 18618552
4-ethyloctyl 2-methylprop-2-enoate
CID 57022473
octyl 3-hydroxy-2-methylidenehexanoate
CID 57117577
dibutyl 2,3-di(propan-2-yl)but-2-enedioate
CID 123256400

Frequently Asked Questions

What is the IUPAC name of butyl 3-fluoro-2-methylidenepentanoate?
The IUPAC name of butyl 3-fluoro-2-methylidenepentanoate (CID 175124553) is butyl 3-fluoro-2-methylidenepentanoate.
What is the SMILES notation for butyl 3-fluoro-2-methylidenepentanoate?
The canonical SMILES for butyl 3-fluoro-2-methylidenepentanoate is C=C(C(=O)OCCCC)C(F)CC.
What is the InChIKey of butyl 3-fluoro-2-methylidenepentanoate?
The InChIKey is XOXCOBHSGMUEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO2/c1-4-6-7-13-10(12)8(3)9(11)5-2/h9H,3-7H2,1-2H3.
What are the key properties of butyl 3-fluoro-2-methylidenepentanoate?
butyl 3-fluoro-2-methylidenepentanoate has a molecular weight of 188.24 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-fluoro-2-methylidenepentanoate is sourced from PubChem (CID 175124553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).