1-cyclohexyl-3,3-difluoroindol-2-one

C14H15F2NO — CID 123345946

IUPAC1-cyclohexyl-3,3-difluoroindol-2-one
SMILESO=C1N(C2CCCCC2)c2ccccc2C1(F)F
InChIInChI=1S/C14H15F2NO/c15-14(16)11-8-4-5-9-12(11)17(13(14)18)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKeyRLEXQBQTALBVEM-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.46
Rot. Bonds1

About 1-cyclohexyl-3,3-difluoroindol-2-one

1-cyclohexyl-3,3-difluoroindol-2-one (PubChem CID 123345946) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-cyclohexyl-3,3-difluoroindol-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3,3-difluoroindol-2-one
PubChem CID123345946
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Name1-cyclohexyl-3,3-difluoroindol-2-one
SMILESO=C1N(C2CCCCC2)c2ccccc2C1(F)F
InChIInChI=1S/C14H15F2NO/c15-14(16)11-8-4-5-9-12(11)17(13(14)18)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKeyRLEXQBQTALBVEM-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,3-difluoroindol-2-one?
The IUPAC name of 1-cyclohexyl-3,3-difluoroindol-2-one (CID 123345946) is 1-cyclohexyl-3,3-difluoroindol-2-one.
What is the SMILES notation for 1-cyclohexyl-3,3-difluoroindol-2-one?
The canonical SMILES for 1-cyclohexyl-3,3-difluoroindol-2-one is O=C1N(C2CCCCC2)c2ccccc2C1(F)F.
What is the InChIKey of 1-cyclohexyl-3,3-difluoroindol-2-one?
The InChIKey is RLEXQBQTALBVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c15-14(16)11-8-4-5-9-12(11)17(13(14)18)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2.
What are the key properties of 1-cyclohexyl-3,3-difluoroindol-2-one?
1-cyclohexyl-3,3-difluoroindol-2-one has a molecular weight of 251.28 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,3-difluoroindol-2-one is sourced from PubChem (CID 123345946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).