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

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

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

Launch Full Analysis

Related Compounds

7-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 114674789
7-hydroxy-3'-methylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 47001263
6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 114672193
2-(cyclopropylmethyl)-7-fluoro-2-methyl-3H-chromen-4-one
CID 114674564
3',7-dimethoxyspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 106875112
2,2-diethyl-7-fluoro-3H-chromen-4-one
CID 67362507
6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one
CID 114672109
(4S)-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107430742
6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one
CID 114672216
5-(2-methylpropyl)-1-oxaspiro[2.5]octane
CID 107430385
7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107430730
(4S)-7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107430740

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).