7-fluoro-3'-(2-methylpropyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one

C18H23FO2 — CID 107430727

IUPAC7-fluoro-3'-(2-methylpropyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESCC(C)CC1CCCC2(CC(=O)c3ccc(F)cc3O2)C1
InChIInChI=1S/C18H23FO2/c1-12(2)8-13-4-3-7-18(10-13)11-16(20)15-6-5-14(19)9-17(15)21-18/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3
InChIKeySYTZYKHSCWVHNB-UHFFFAOYSA-N
MW290.38 g/mol
LogP4.77
Rot. Bonds2

About 7-fluoro-3'-(2-methylpropyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one

7-fluoro-3'-(2-methylpropyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one (PubChem CID 107430727) has the molecular formula C18H23FO2 and a molecular weight of 290.38 g/mol. Its IUPAC name is 7-fluoro-3'-(2-methylpropyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name7-fluoro-3'-(2-methylpropyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one
PubChem CID107430727
Molecular FormulaC18H23FO2
Molecular Weight290.38 g/mol
Exact Mass290.17
IUPAC Name7-fluoro-3'-(2-methylpropyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one
SMILESCC(C)CC1CCCC2(CC(=O)c3ccc(F)cc3O2)C1
InChIInChI=1S/C18H23FO2/c1-12(2)8-13-4-3-7-18(10-13)11-16(20)15-6-5-14(19)9-17(15)21-18/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3
InChIKeySYTZYKHSCWVHNB-UHFFFAOYSA-N
XLogP4.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3'-(2-methylpropyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one?
The IUPAC name of 7-fluoro-3'-(2-methylpropyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one (CID 107430727) is 7-fluoro-3'-(2-methylpropyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 7-fluoro-3'-(2-methylpropyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one?
The canonical SMILES for 7-fluoro-3'-(2-methylpropyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one is CC(C)CC1CCCC2(CC(=O)c3ccc(F)cc3O2)C1.
What is the InChIKey of 7-fluoro-3'-(2-methylpropyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one?
The InChIKey is SYTZYKHSCWVHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FO2/c1-12(2)8-13-4-3-7-18(10-13)11-16(20)15-6-5-14(19)9-17(15)21-18/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 7-fluoro-3'-(2-methylpropyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one?
7-fluoro-3'-(2-methylpropyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one has a molecular weight of 290.38 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3'-(2-methylpropyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 107430727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).