tert-butyl (Z)-4-fluoro-3-methylpent-2-enoate

C10H17FO2 — CID 23234210

IUPACtert-butyl (Z)-4-fluoro-3-methylpent-2-enoate
SMILESC/C(=C/C(=O)OC(C)(C)C)C(C)F
InChIInChI=1S/C10H17FO2/c1-7(8(2)11)6-9(12)13-10(3,4)5/h6,8H,1-5H3/b7-6-
InChIKeyWFQCZBSOYNOYRK-SREVYHEPSA-N
MW188.24 g/mol
LogP2.63
Rot. Bonds2

About tert-butyl (Z)-4-fluoro-3-methylpent-2-enoate

tert-butyl (Z)-4-fluoro-3-methylpent-2-enoate (PubChem CID 23234210) has the molecular formula C10H17FO2 and a molecular weight of 188.24 g/mol. Its IUPAC name is tert-butyl (Z)-4-fluoro-3-methylpent-2-enoate.

Molecular Properties

Compound Nametert-butyl (Z)-4-fluoro-3-methylpent-2-enoate
PubChem CID23234210
Molecular FormulaC10H17FO2
Molecular Weight188.24 g/mol
Exact Mass188.12
IUPAC Nametert-butyl (Z)-4-fluoro-3-methylpent-2-enoate
SMILESC/C(=C/C(=O)OC(C)(C)C)C(C)F
InChIInChI=1S/C10H17FO2/c1-7(8(2)11)6-9(12)13-10(3,4)5/h6,8H,1-5H3/b7-6-
InChIKeyWFQCZBSOYNOYRK-SREVYHEPSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate
CID 51777340
tert-butyl (Z)-3-trimethylsilyloxybut-2-enoate
CID 87603197
tert-butyl 2-fluoropropanoate
CID 91554233
(E)-4-fluoro-3-methylpent-2-enoic acid
CID 23234140
ditert-butyl (E)-2-methylbut-2-enedioate
CID 12721570
(3R)-3-fluorobutan-2-one
CID 638120
(E)-1,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-en-1-olate
CID 134894311
tert-butyl (Z)-4-oxopent-2-enoate
CID 58880394
tert-butyl acetate;2,2-difluoropropane;2-methylpropane
CID 158638255
tert-butyl prop-2-enoate
CID 158231977
tert-butyl prop-2-enoate;methane;2-propan-2-ylperoxypropane
CID 174833427
tert-butyl (E)-5-methylhex-2-enoate
CID 11446750

Frequently Asked Questions

What is the IUPAC name of tert-butyl (Z)-4-fluoro-3-methylpent-2-enoate?
The IUPAC name of tert-butyl (Z)-4-fluoro-3-methylpent-2-enoate (CID 23234210) is tert-butyl (Z)-4-fluoro-3-methylpent-2-enoate.
What is the SMILES notation for tert-butyl (Z)-4-fluoro-3-methylpent-2-enoate?
The canonical SMILES for tert-butyl (Z)-4-fluoro-3-methylpent-2-enoate is C/C(=C/C(=O)OC(C)(C)C)C(C)F.
What is the InChIKey of tert-butyl (Z)-4-fluoro-3-methylpent-2-enoate?
The InChIKey is WFQCZBSOYNOYRK-SREVYHEPSA-N. The full InChI is InChI=1S/C10H17FO2/c1-7(8(2)11)6-9(12)13-10(3,4)5/h6,8H,1-5H3/b7-6-.
What are the key properties of tert-butyl (Z)-4-fluoro-3-methylpent-2-enoate?
tert-butyl (Z)-4-fluoro-3-methylpent-2-enoate has a molecular weight of 188.24 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (Z)-4-fluoro-3-methylpent-2-enoate is sourced from PubChem (CID 23234210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).