2-methylpropyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate

C14H23FO2 — CID 165388536

IUPAC2-methylpropyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate
SMILESC=C(C(=O)OCC(C)C)C(F)C1CCCCC1
InChIInChI=1S/C14H23FO2/c1-10(2)9-17-14(16)11(3)13(15)12-7-5-4-6-8-12/h10,12-13H,3-9H2,1-2H3
InChIKeyVVXLSIRADNPLTH-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.66
Rot. Bonds5

About 2-methylpropyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate

2-methylpropyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate (PubChem CID 165388536) has the molecular formula C14H23FO2 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-methylpropyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate.

Molecular Properties

Compound Name2-methylpropyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate
PubChem CID165388536
Molecular FormulaC14H23FO2
Molecular Weight242.33 g/mol
Exact Mass242.17
IUPAC Name2-methylpropyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate
SMILESC=C(C(=O)OCC(C)C)C(F)C1CCCCC1
InChIInChI=1S/C14H23FO2/c1-10(2)9-17-14(16)11(3)13(15)12-7-5-4-6-8-12/h10,12-13H,3-9H2,1-2H3
InChIKeyVVXLSIRADNPLTH-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.66
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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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate?
The IUPAC name of 2-methylpropyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate (CID 165388536) is 2-methylpropyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate.
What is the SMILES notation for 2-methylpropyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate?
The canonical SMILES for 2-methylpropyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate is C=C(C(=O)OCC(C)C)C(F)C1CCCCC1.
What is the InChIKey of 2-methylpropyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate?
The InChIKey is VVXLSIRADNPLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FO2/c1-10(2)9-17-14(16)11(3)13(15)12-7-5-4-6-8-12/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 2-methylpropyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate?
2-methylpropyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate has a molecular weight of 242.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[cyclohexyl(fluoro)methyl]prop-2-enoate is sourced from PubChem (CID 165388536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).