6-ethyl-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one

C17H21FO2 — CID 91049511

IUPAC6-ethyl-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCCc1cc2c(cc1F)CC1(CCC(OC)CC1)C2=O
InChIInChI=1S/C17H21FO2/c1-3-11-8-14-12(9-15(11)18)10-17(16(14)19)6-4-13(20-2)5-7-17/h8-9,13H,3-7,10H2,1-2H3
InChIKeyMPQICHUJBYFZCU-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.70
Rot. Bonds2

About 6-ethyl-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one

6-ethyl-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one (PubChem CID 91049511) has the molecular formula C17H21FO2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name6-ethyl-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
PubChem CID91049511
Molecular FormulaC17H21FO2
Molecular Weight276.35 g/mol
Exact Mass276.15
IUPAC Name6-ethyl-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCCc1cc2c(cc1F)CC1(CCC(OC)CC1)C2=O
InChIInChI=1S/C17H21FO2/c1-3-11-8-14-12(9-15(11)18)10-17(16(14)19)6-4-13(20-2)5-7-17/h8-9,13H,3-7,10H2,1-2H3
InChIKeyMPQICHUJBYFZCU-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The IUPAC name of 6-ethyl-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one (CID 91049511) is 6-ethyl-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one.
What is the SMILES notation for 6-ethyl-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The canonical SMILES for 6-ethyl-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one is CCc1cc2c(cc1F)CC1(CCC(OC)CC1)C2=O.
What is the InChIKey of 6-ethyl-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The InChIKey is MPQICHUJBYFZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO2/c1-3-11-8-14-12(9-15(11)18)10-17(16(14)19)6-4-13(20-2)5-7-17/h8-9,13H,3-7,10H2,1-2H3.
What are the key properties of 6-ethyl-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
6-ethyl-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one has a molecular weight of 276.35 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one is sourced from PubChem (CID 91049511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).