4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one

C14H15F2NO — CID 106702132

IUPAC4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESCc1ccc2c(c1)C1(CCC(F)(F)CC1)C(=O)N2
InChIInChI=1S/C14H15F2NO/c1-9-2-3-11-10(8-9)13(12(18)17-11)4-6-14(15,16)7-5-13/h2-3,8H,4-7H2,1H3,(H,17,18)
InChIKeyFGGKZCYCZUIJOK-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.39
Rot. Bonds

About 4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one

4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one (PubChem CID 106702132) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is 4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one
PubChem CID106702132
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Name4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESCc1ccc2c(c1)C1(CCC(F)(F)CC1)C(=O)N2
InChIInChI=1S/C14H15F2NO/c1-9-2-3-11-10(8-9)13(12(18)17-11)4-6-14(15,16)7-5-13/h2-3,8H,4-7H2,1H3,(H,17,18)
InChIKeyFGGKZCYCZUIJOK-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4',4'-difluoro-6-methylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 70960495
5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 156760180
1',5-dimethylspiro[1H-indole-3,3'-piperidine]-2-one
CID 10220227
5-bromospiro[1H-indole-3,1'-cyclobutane]-2-one;ethane
CID 145209276
(3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one
CID 175639660
5-(difluoromethoxy)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 106702093
5-propan-2-ylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 82085220
5,6-difluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 164588624
2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide
CID 110405656
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 68989993
5-methyl-2-methylidenespiro[1H-indole-3,1'-cyclopentane]
CID 22953154
5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one
CID 84619753

Frequently Asked Questions

What is the IUPAC name of 4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one?
The IUPAC name of 4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one (CID 106702132) is 4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one?
The canonical SMILES for 4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one is Cc1ccc2c(c1)C1(CCC(F)(F)CC1)C(=O)N2.
What is the InChIKey of 4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one?
The InChIKey is FGGKZCYCZUIJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-9-2-3-11-10(8-9)13(12(18)17-11)4-6-14(15,16)7-5-13/h2-3,8H,4-7H2,1H3,(H,17,18).
What are the key properties of 4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one?
4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one has a molecular weight of 251.28 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 106702132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).