methyl 5-[(4-fluorophenyl)methyl]-4-oxaspiro[2.4]heptane-5-carboxylate

C15H17FO3 — CID 67159889

IUPACmethyl 5-[(4-fluorophenyl)methyl]-4-oxaspiro[2.4]heptane-5-carboxylate
SMILESCOC(=O)C1(Cc2ccc(F)cc2)CCC2(CC2)O1
InChIInChI=1S/C15H17FO3/c1-18-13(17)15(9-8-14(19-15)6-7-14)10-11-2-4-12(16)5-3-11/h2-5H,6-10H2,1H3
InChIKeyVIOPMGQZZUDIQN-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.62
Rot. Bonds3

About methyl 5-[(4-fluorophenyl)methyl]-4-oxaspiro[2.4]heptane-5-carboxylate

methyl 5-[(4-fluorophenyl)methyl]-4-oxaspiro[2.4]heptane-5-carboxylate (PubChem CID 67159889) has the molecular formula C15H17FO3 and a molecular weight of 264.30 g/mol. Its IUPAC name is methyl 5-[(4-fluorophenyl)methyl]-4-oxaspiro[2.4]heptane-5-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-fluorophenyl)methyl]-4-oxaspiro[2.4]heptane-5-carboxylate
PubChem CID67159889
Molecular FormulaC15H17FO3
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Namemethyl 5-[(4-fluorophenyl)methyl]-4-oxaspiro[2.4]heptane-5-carboxylate
SMILESCOC(=O)C1(Cc2ccc(F)cc2)CCC2(CC2)O1
InChIInChI=1S/C15H17FO3/c1-18-13(17)15(9-8-14(19-15)6-7-14)10-11-2-4-12(16)5-3-11/h2-5H,6-10H2,1H3
InChIKeyVIOPMGQZZUDIQN-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(4-fluorophenyl)methyl]-2,3-dimethyloxirane-2-carboxylate
CID 114834899
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CID 11313008
3-[(4-fluorophenyl)methyl]oxolane-3-carboxylic acid
CID 62740795
methyl 1-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylate
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methyl 4-[(4-chlorophenyl)methyl]piperidine-4-carboxylate
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1-(4-fluorophenyl)pentane-2,4-dione
CID 57447744
[1-[(4-fluorophenyl)methyl]cyclopropyl] 2-(4-methoxyphenyl)acetate
CID 100696047
methyl 2-chloro-3-ethyl-3-(4-fluorophenyl)oxirane-2-carboxylate
CID 103354828
methyl (3R)-1-[3-(4-fluorophenyl)propanoyl]-3-methylpyrrolidine-3-carboxylate
CID 97022319
2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706780
methyl 1-[(4-bromophenyl)methyl]cyclobutane-1-carboxylate
CID 116929677

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-fluorophenyl)methyl]-4-oxaspiro[2.4]heptane-5-carboxylate?
The IUPAC name of methyl 5-[(4-fluorophenyl)methyl]-4-oxaspiro[2.4]heptane-5-carboxylate (CID 67159889) is methyl 5-[(4-fluorophenyl)methyl]-4-oxaspiro[2.4]heptane-5-carboxylate.
What is the SMILES notation for methyl 5-[(4-fluorophenyl)methyl]-4-oxaspiro[2.4]heptane-5-carboxylate?
The canonical SMILES for methyl 5-[(4-fluorophenyl)methyl]-4-oxaspiro[2.4]heptane-5-carboxylate is COC(=O)C1(Cc2ccc(F)cc2)CCC2(CC2)O1.
What is the InChIKey of methyl 5-[(4-fluorophenyl)methyl]-4-oxaspiro[2.4]heptane-5-carboxylate?
The InChIKey is VIOPMGQZZUDIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO3/c1-18-13(17)15(9-8-14(19-15)6-7-14)10-11-2-4-12(16)5-3-11/h2-5H,6-10H2,1H3.
What are the key properties of methyl 5-[(4-fluorophenyl)methyl]-4-oxaspiro[2.4]heptane-5-carboxylate?
methyl 5-[(4-fluorophenyl)methyl]-4-oxaspiro[2.4]heptane-5-carboxylate has a molecular weight of 264.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-fluorophenyl)methyl]-4-oxaspiro[2.4]heptane-5-carboxylate is sourced from PubChem (CID 67159889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).