4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane]

C14H17F2NO — CID 106701810

IUPAC4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESCOc1ccc2c(c1)C1(CCC(F)(F)CC1)CN2
InChIInChI=1S/C14H17F2NO/c1-18-10-2-3-12-11(8-10)13(9-17-12)4-6-14(15,16)7-5-13/h2-3,8,17H,4-7,9H2,1H3
InChIKeyVEXFYGOLQNCURH-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.57
Rot. Bonds1

About 4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane]

4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane] (PubChem CID 106701810) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane].

Molecular Properties

Compound Name4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane]
PubChem CID106701810
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESCOc1ccc2c(c1)C1(CCC(F)(F)CC1)CN2
InChIInChI=1S/C14H17F2NO/c1-18-10-2-3-12-11(8-10)13(9-17-12)4-6-14(15,16)7-5-13/h2-3,8,17H,4-7,9H2,1H3
InChIKeyVEXFYGOLQNCURH-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane] 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-methoxyspiro[1,2-dihydroquinoline-3,1'-cyclopropane]-4-one
CID 82278075
3-fluoro-7-methoxy-3-methyl-2,4-dihydro-1H-quinoline
CID 84720514
5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid
CID 118195749
6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 82304474
5-methoxy-3-methyl-3-(1-methylpiperidin-4-yl)-1,2-dihydroindole
CID 169244448
1-(2-fluorophenyl)-6-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112513013
8-methoxyspiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclopentane]
CID 115099661
5-methylsulfonylspiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 168726724
6-methoxyspiro[2,3-dihydro-1H-quinoline-4,5'-imidazolidine]-2',4'-dione
CID 82276062
1'-(1-cyclopentylethyl)-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]
CID 70957715
1'-[(1R)-1-cyclopentylethyl]-5-methylspiro[1,2-dihydroindole-3,4'-piperidine]
CID 70957527
8-methoxyspiro[2,5-dihydro-1,5-benzothiazepine-3,1'-cyclopropane]-4-one
CID 115099183

Frequently Asked Questions

What is the IUPAC name of 4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane]?
The IUPAC name of 4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane] (CID 106701810) is 4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane].
What is the SMILES notation for 4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane]?
The canonical SMILES for 4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane] is COc1ccc2c(c1)C1(CCC(F)(F)CC1)CN2.
What is the InChIKey of 4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane]?
The InChIKey is VEXFYGOLQNCURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-18-10-2-3-12-11(8-10)13(9-17-12)4-6-14(15,16)7-5-13/h2-3,8,17H,4-7,9H2,1H3.
What are the key properties of 4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane]?
4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane] has a molecular weight of 253.29 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4',4'-difluoro-5-methoxyspiro[1,2-dihydroindole-3,1'-cyclohexane] is sourced from PubChem (CID 106701810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).