5,7-difluoro-3-propan-2-yl-2,3-dihydro-1H-indole

C11H13F2N — CID 106986418

IUPAC5,7-difluoro-3-propan-2-yl-2,3-dihydro-1H-indole
SMILESCC(C)C1CNc2c(F)cc(F)cc21
InChIInChI=1S/C11H13F2N/c1-6(2)9-5-14-11-8(9)3-7(12)4-10(11)13/h3-4,6,9,14H,5H2,1-2H3
InChIKeyBLIARXDGZOJNGQ-UHFFFAOYSA-N
MW197.23 g/mol
LogP3.13
Rot. Bonds1

About 5,7-difluoro-3-propan-2-yl-2,3-dihydro-1H-indole

5,7-difluoro-3-propan-2-yl-2,3-dihydro-1H-indole (PubChem CID 106986418) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 5,7-difluoro-3-propan-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5,7-difluoro-3-propan-2-yl-2,3-dihydro-1H-indole
PubChem CID106986418
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name5,7-difluoro-3-propan-2-yl-2,3-dihydro-1H-indole
SMILESCC(C)C1CNc2c(F)cc(F)cc21
InChIInChI=1S/C11H13F2N/c1-6(2)9-5-14-11-8(9)3-7(12)4-10(11)13/h3-4,6,9,14H,5H2,1-2H3
InChIKeyBLIARXDGZOJNGQ-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-3-propan-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of 5,7-difluoro-3-propan-2-yl-2,3-dihydro-1H-indole (CID 106986418) is 5,7-difluoro-3-propan-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5,7-difluoro-3-propan-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 5,7-difluoro-3-propan-2-yl-2,3-dihydro-1H-indole is CC(C)C1CNc2c(F)cc(F)cc21.
What is the InChIKey of 5,7-difluoro-3-propan-2-yl-2,3-dihydro-1H-indole?
The InChIKey is BLIARXDGZOJNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-6(2)9-5-14-11-8(9)3-7(12)4-10(11)13/h3-4,6,9,14H,5H2,1-2H3.
What are the key properties of 5,7-difluoro-3-propan-2-yl-2,3-dihydro-1H-indole?
5,7-difluoro-3-propan-2-yl-2,3-dihydro-1H-indole has a molecular weight of 197.23 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3-propan-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 106986418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).