methyl 2-fluoro-3-naphthalen-2-ylspiro[3.3]heptane-2-carboxylate

C19H19FO2 — CID 176901929

IUPACmethyl 2-fluoro-3-naphthalen-2-ylspiro[3.3]heptane-2-carboxylate
SMILESCOC(=O)C1(F)CC2(CCC2)C1c1ccc2ccccc2c1
InChIInChI=1S/C19H19FO2/c1-22-17(21)19(20)12-18(9-4-10-18)16(19)15-8-7-13-5-2-3-6-14(13)11-15/h2-3,5-8,11,16H,4,9-10,12H2,1H3
InChIKeyHCCUNNJOGMIQFL-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.38
Rot. Bonds2

About methyl 2-fluoro-3-naphthalen-2-ylspiro[3.3]heptane-2-carboxylate

methyl 2-fluoro-3-naphthalen-2-ylspiro[3.3]heptane-2-carboxylate (PubChem CID 176901929) has the molecular formula C19H19FO2 and a molecular weight of 298.36 g/mol. Its IUPAC name is methyl 2-fluoro-3-naphthalen-2-ylspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-fluoro-3-naphthalen-2-ylspiro[3.3]heptane-2-carboxylate
PubChem CID176901929
Molecular FormulaC19H19FO2
Molecular Weight298.36 g/mol
Exact Mass298.14
IUPAC Namemethyl 2-fluoro-3-naphthalen-2-ylspiro[3.3]heptane-2-carboxylate
SMILESCOC(=O)C1(F)CC2(CCC2)C1c1ccc2ccccc2c1
InChIInChI=1S/C19H19FO2/c1-22-17(21)19(20)12-18(9-4-10-18)16(19)15-8-7-13-5-2-3-6-14(13)11-15/h2-3,5-8,11,16H,4,9-10,12H2,1H3
InChIKeyHCCUNNJOGMIQFL-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 2-fluoro-3-naphthalen-2-ylspiro[3.3]heptane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-3-naphthalen-2-ylspiro[3.3]heptane-2-carboxylate?
The IUPAC name of methyl 2-fluoro-3-naphthalen-2-ylspiro[3.3]heptane-2-carboxylate (CID 176901929) is methyl 2-fluoro-3-naphthalen-2-ylspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for methyl 2-fluoro-3-naphthalen-2-ylspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for methyl 2-fluoro-3-naphthalen-2-ylspiro[3.3]heptane-2-carboxylate is COC(=O)C1(F)CC2(CCC2)C1c1ccc2ccccc2c1.
What is the InChIKey of methyl 2-fluoro-3-naphthalen-2-ylspiro[3.3]heptane-2-carboxylate?
The InChIKey is HCCUNNJOGMIQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO2/c1-22-17(21)19(20)12-18(9-4-10-18)16(19)15-8-7-13-5-2-3-6-14(13)11-15/h2-3,5-8,11,16H,4,9-10,12H2,1H3.
What are the key properties of methyl 2-fluoro-3-naphthalen-2-ylspiro[3.3]heptane-2-carboxylate?
methyl 2-fluoro-3-naphthalen-2-ylspiro[3.3]heptane-2-carboxylate has a molecular weight of 298.36 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-3-naphthalen-2-ylspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 176901929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).