6-chloro-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one

C10H11ClFNO — CID 162728701

IUPAC6-chloro-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one
SMILESCC1(C)C(=O)NC2=CC(Cl)=C(F)CC21
InChIInChI=1S/C10H11ClFNO/c1-10(2)5-3-7(12)6(11)4-8(5)13-9(10)14/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyGFRFSAGQWDVZPE-UHFFFAOYSA-N
MW215.65 g/mol
LogP2.47
Rot. Bonds

About 6-chloro-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one

6-chloro-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one (PubChem CID 162728701) has the molecular formula C10H11ClFNO and a molecular weight of 215.65 g/mol. Its IUPAC name is 6-chloro-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one.

Molecular Properties

Compound Name6-chloro-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one
PubChem CID162728701
Molecular FormulaC10H11ClFNO
Molecular Weight215.65 g/mol
Exact Mass215.05
IUPAC Name6-chloro-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one
SMILESCC1(C)C(=O)NC2=CC(Cl)=C(F)CC21
InChIInChI=1S/C10H11ClFNO/c1-10(2)5-3-7(12)6(11)4-8(5)13-9(10)14/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeyGFRFSAGQWDVZPE-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.65
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Fluoro-1,3,3a,4-tetrahydroindol-2-one
CID 129273747
4-Fluoro-1,3,3a,4-tetrahydroindol-2-one
CID 140157495
6-Amino-5-fluoro-1,3,3-trimethyl-3a,4-dihydroindol-2-one
CID 141394945
6-bromo-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one
CID 141394981
6-bromo-4-(difluoromethyl)-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one
CID 156782200
5,6-difluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one
CID 162728705
4-fluoro-2a,9-dihydro-1H-benzo[cd]indol-2-one
CID 172482558
3,3-dimethyl-5-(trifluoromethyl)-3a,4-dihydro-1H-indol-2-one
CID 178624506
4,7-difluoro-3,3-dimethyl-5-(trifluoromethyl)-3a,4-dihydro-1H-indol-2-one
CID 178624509
5-bromo-4,7-difluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one
CID 178624538
4,7-difluoro-5-iodo-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one
CID 178624543
3,3-dimethyl-3a,4-dihydro-1H-indol-2-one
CID 21615586

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one?
The IUPAC name of 6-chloro-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one (CID 162728701) is 6-chloro-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one.
What is the SMILES notation for 6-chloro-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one?
The canonical SMILES for 6-chloro-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one is CC1(C)C(=O)NC2=CC(Cl)=C(F)CC21.
What is the InChIKey of 6-chloro-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one?
The InChIKey is GFRFSAGQWDVZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-10(2)5-3-7(12)6(11)4-8(5)13-9(10)14/h4-5H,3H2,1-2H3,(H,13,14).
What are the key properties of 6-chloro-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one?
6-chloro-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one has a molecular weight of 215.65 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-3,3-dimethyl-3a,4-dihydro-1H-indol-2-one is sourced from PubChem (CID 162728701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).