2'-(4-chlorophenyl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one

C16H11ClFNO — CID 77252133

IUPAC2'-(4-chlorophenyl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(F)cc2C12CC2c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClFNO/c17-10-3-1-9(2-4-10)13-8-16(13)12-7-11(18)5-6-14(12)19-15(16)20/h1-7,13H,8H2,(H,19,20)
InChIKeyYCXDQINPHSJNBJ-UHFFFAOYSA-N
MW287.72 g/mol
LogP3.86
Rot. Bonds1

About 2'-(4-chlorophenyl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one

2'-(4-chlorophenyl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 77252133) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is 2'-(4-chlorophenyl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name2'-(4-chlorophenyl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID77252133
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name2'-(4-chlorophenyl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(F)cc2C12CC2c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClFNO/c17-10-3-1-9(2-4-10)13-8-16(13)12-7-11(18)5-6-14(12)19-15(16)20/h1-7,13H,8H2,(H,19,20)
InChIKeyYCXDQINPHSJNBJ-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 71200943
(2'S,3R)-2'-(3-chloro-4-fluorophenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52898950
(2'S,3R)-5-chloro-2'-(3-iodo-2H-indazol-6-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 68790188
(2'S,3R)-2'-(4-methylphenyl)-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
CID 99979195
(2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
CID 99979078
(2'S,3R)-2'-(4-isocyanophenyl)-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
CID 58305417
(2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 15956368
(2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 15956370
2'-(3,5-dimethoxyphenyl)-5-fluorospiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52995768
5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58482281
3-(5-chloro-2-pyridinyl)-5-fluoro-3-hydroxy-1H-indol-2-one
CID 163232440
5-chloro-2'-(5-ethylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 71200848

Frequently Asked Questions

What is the IUPAC name of 2'-(4-chlorophenyl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 2'-(4-chlorophenyl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one (CID 77252133) is 2'-(4-chlorophenyl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 2'-(4-chlorophenyl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 2'-(4-chlorophenyl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(F)cc2C12CC2c1ccc(Cl)cc1.
What is the InChIKey of 2'-(4-chlorophenyl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is YCXDQINPHSJNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c17-10-3-1-9(2-4-10)13-8-16(13)12-7-11(18)5-6-14(12)19-15(16)20/h1-7,13H,8H2,(H,19,20).
What are the key properties of 2'-(4-chlorophenyl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
2'-(4-chlorophenyl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 287.72 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(4-chlorophenyl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 77252133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).