methyl (E)-3-fluoro-2-phenylprop-2-enoate

C10H9FO2 — CID 10607451

IUPACmethyl (E)-3-fluoro-2-phenylprop-2-enoate
SMILESCOC(=O)/C(=C/F)c1ccccc1
InChIInChI=1S/C10H9FO2/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h2-7H,1H3/b9-7+
InChIKeyXSESDLGJLHENBJ-VQHVLOKHSA-N
MW180.18 g/mol
LogP2.17
Rot. Bonds2

About methyl (E)-3-fluoro-2-phenylprop-2-enoate

methyl (E)-3-fluoro-2-phenylprop-2-enoate (PubChem CID 10607451) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is methyl (E)-3-fluoro-2-phenylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-fluoro-2-phenylprop-2-enoate
PubChem CID10607451
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Namemethyl (E)-3-fluoro-2-phenylprop-2-enoate
SMILESCOC(=O)/C(=C/F)c1ccccc1
InChIInChI=1S/C10H9FO2/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h2-7H,1H3/b9-7+
InChIKeyXSESDLGJLHENBJ-VQHVLOKHSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.17
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

methyl (2E)-2-phenylpenta-2,4-dienoate
CID 102389363
methyl 2-phenylpenta-2,4-dienoate
CID 73023142
methyl (E)-3-(4-bromophenyl)-2-phenylprop-2-enoate
CID 102281008
methyl (E)-2,5-diphenylpent-2-enoate
CID 24795397
methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate
CID 2764285
methyl (E)-3-(2-cyanophenyl)-2-phenylprop-2-enoate
CID 102379772
methyl (Z)-2-phenyloct-2-enoate
CID 13480315
methyl (E)-2-phenyloct-2-enoate
CID 13480316
(E)-3-[5-[(E)-3-methoxy-3-oxo-2-phenylprop-1-enyl]furan-2-yl]-2-phenylprop-2-enoic acid
CID 5386472
methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate
CID 5376942
methyl (E)-3-(3-chlorophenyl)-2-phenylprop-2-enoate
CID 25192532
methyl (Z)-4-hydroperoxy-4-methoxy-2,4-diphenylbut-2-enoate
CID 15063123

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-fluoro-2-phenylprop-2-enoate?
The IUPAC name of methyl (E)-3-fluoro-2-phenylprop-2-enoate (CID 10607451) is methyl (E)-3-fluoro-2-phenylprop-2-enoate.
What is the SMILES notation for methyl (E)-3-fluoro-2-phenylprop-2-enoate?
The canonical SMILES for methyl (E)-3-fluoro-2-phenylprop-2-enoate is COC(=O)/C(=C/F)c1ccccc1.
What is the InChIKey of methyl (E)-3-fluoro-2-phenylprop-2-enoate?
The InChIKey is XSESDLGJLHENBJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H9FO2/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h2-7H,1H3/b9-7+.
What are the key properties of methyl (E)-3-fluoro-2-phenylprop-2-enoate?
methyl (E)-3-fluoro-2-phenylprop-2-enoate has a molecular weight of 180.18 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-fluoro-2-phenylprop-2-enoate is sourced from PubChem (CID 10607451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).