fluoro 2-methyl-2-phenylpent-4-enoate

C12H13FO2 — CID 143008077

IUPACfluoro 2-methyl-2-phenylpent-4-enoate
SMILESC=CCC(C)(C(=O)OF)c1ccccc1
InChIInChI=1S/C12H13FO2/c1-3-9-12(2,11(14)15-13)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3
InChIKeyWZSAILAPZGJLLX-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.95
Rot. Bonds4

About fluoro 2-methyl-2-phenylpent-4-enoate

fluoro 2-methyl-2-phenylpent-4-enoate (PubChem CID 143008077) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is fluoro 2-methyl-2-phenylpent-4-enoate.

Molecular Properties

Compound Namefluoro 2-methyl-2-phenylpent-4-enoate
PubChem CID143008077
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Namefluoro 2-methyl-2-phenylpent-4-enoate
SMILESC=CCC(C)(C(=O)OF)c1ccccc1
InChIInChI=1S/C12H13FO2/c1-3-9-12(2,11(14)15-13)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3
InChIKeyWZSAILAPZGJLLX-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze fluoro 2-methyl-2-phenylpent-4-enoate 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

2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid
CID 117049200
ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate
CID 15139256
2-phenylpent-4-en-2-yl acetate
CID 15164764
methyl N-(2,2-diphenylpent-4-enyl)carbamate
CID 135072663
2-methyl-2-(4-phenylmethoxyphenyl)pent-4-enoic acid
CID 21347999
3-methyl-3-phenylhept-6-en-2-one
CID 101199283
2-methyl-2-(3-methylphenyl)pent-4-enoic acid
CID 117049190
methyl (2S)-2-phenyl-2-prop-2-enoxypent-4-enoate
CID 101079952
ethyl 2-(3,4-difluorophenyl)-2-methylpent-4-enoate
CID 117049214
(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831
[(2R)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966368
[(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966369

Frequently Asked Questions

What is the IUPAC name of fluoro 2-methyl-2-phenylpent-4-enoate?
The IUPAC name of fluoro 2-methyl-2-phenylpent-4-enoate (CID 143008077) is fluoro 2-methyl-2-phenylpent-4-enoate.
What is the SMILES notation for fluoro 2-methyl-2-phenylpent-4-enoate?
The canonical SMILES for fluoro 2-methyl-2-phenylpent-4-enoate is C=CCC(C)(C(=O)OF)c1ccccc1.
What is the InChIKey of fluoro 2-methyl-2-phenylpent-4-enoate?
The InChIKey is WZSAILAPZGJLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-3-9-12(2,11(14)15-13)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3.
What are the key properties of fluoro 2-methyl-2-phenylpent-4-enoate?
fluoro 2-methyl-2-phenylpent-4-enoate has a molecular weight of 208.23 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-methyl-2-phenylpent-4-enoate is sourced from PubChem (CID 143008077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).