5-chloro-6-fluoro-1-propan-2-yl-2,3-dihydroindole

C11H13ClFN — CID 21338502

IUPAC5-chloro-6-fluoro-1-propan-2-yl-2,3-dihydroindole
SMILESCC(C)N1CCc2cc(Cl)c(F)cc21
InChIInChI=1S/C11H13ClFN/c1-7(2)14-4-3-8-5-9(12)10(13)6-11(8)14/h5-7H,3-4H2,1-2H3
InChIKeyYTTNOHNVYKBDPF-UHFFFAOYSA-N
MW213.68 g/mol
LogP3.25
Rot. Bonds1

About 5-chloro-6-fluoro-1-propan-2-yl-2,3-dihydroindole

5-chloro-6-fluoro-1-propan-2-yl-2,3-dihydroindole (PubChem CID 21338502) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-propan-2-yl-2,3-dihydroindole.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-propan-2-yl-2,3-dihydroindole
PubChem CID21338502
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name5-chloro-6-fluoro-1-propan-2-yl-2,3-dihydroindole
SMILESCC(C)N1CCc2cc(Cl)c(F)cc21
InChIInChI=1S/C11H13ClFN/c1-7(2)14-4-3-8-5-9(12)10(13)6-11(8)14/h5-7H,3-4H2,1-2H3
InChIKeyYTTNOHNVYKBDPF-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-propan-2-yl-2,3-dihydroindole?
The IUPAC name of 5-chloro-6-fluoro-1-propan-2-yl-2,3-dihydroindole (CID 21338502) is 5-chloro-6-fluoro-1-propan-2-yl-2,3-dihydroindole.
What is the SMILES notation for 5-chloro-6-fluoro-1-propan-2-yl-2,3-dihydroindole?
The canonical SMILES for 5-chloro-6-fluoro-1-propan-2-yl-2,3-dihydroindole is CC(C)N1CCc2cc(Cl)c(F)cc21.
What is the InChIKey of 5-chloro-6-fluoro-1-propan-2-yl-2,3-dihydroindole?
The InChIKey is YTTNOHNVYKBDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-7(2)14-4-3-8-5-9(12)10(13)6-11(8)14/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-chloro-6-fluoro-1-propan-2-yl-2,3-dihydroindole?
5-chloro-6-fluoro-1-propan-2-yl-2,3-dihydroindole has a molecular weight of 213.68 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-propan-2-yl-2,3-dihydroindole is sourced from PubChem (CID 21338502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).