1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone

C13H14FNO — CID 127270027

IUPAC1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone
SMILESCC(=O)N1CC2(CCC2)c2c(F)cccc21
InChIInChI=1S/C13H14FNO/c1-9(16)15-8-13(6-3-7-13)12-10(14)4-2-5-11(12)15/h2,4-5H,3,6-8H2,1H3
InChIKeyWXJBYBVEXXHQQN-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.61
Rot. Bonds

About 1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone

1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone (PubChem CID 127270027) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone
PubChem CID127270027
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone
SMILESCC(=O)N1CC2(CCC2)c2c(F)cccc21
InChIInChI=1S/C13H14FNO/c1-9(16)15-8-13(6-3-7-13)12-10(14)4-2-5-11(12)15/h2,4-5H,3,6-8H2,1H3
InChIKeyWXJBYBVEXXHQQN-UHFFFAOYSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one
CID 119314082
2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
CID 119312882
1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 100904348
(2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119765160
trans-(1R,2R)-2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)cyclopropane-1-carboxylic acid
CID 97079075
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone
CID 119312884
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone
CID 166244109
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
CID 119765165
(3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride
CID 119765168
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 129369998
(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 100907616

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone?
The IUPAC name of 1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone (CID 127270027) is 1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone.
What is the SMILES notation for 1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone?
The canonical SMILES for 1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone is CC(=O)N1CC2(CCC2)c2c(F)cccc21.
What is the InChIKey of 1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone?
The InChIKey is WXJBYBVEXXHQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-9(16)15-8-13(6-3-7-13)12-10(14)4-2-5-11(12)15/h2,4-5H,3,6-8H2,1H3.
What are the key properties of 1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone?
1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone has a molecular weight of 219.26 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone is sourced from PubChem (CID 127270027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).