7-butyl-5-fluoro-2,3-dihydro-1H-indole

C12H16FN — CID 119082550

IUPAC7-butyl-5-fluoro-2,3-dihydro-1H-indole
SMILESCCCCc1cc(F)cc2c1NCC2
InChIInChI=1S/C12H16FN/c1-2-3-4-9-7-11(13)8-10-5-6-14-12(9)10/h7-8,14H,2-6H2,1H3
InChIKeyAFUKFCQCVHRPFA-UHFFFAOYSA-N
MW193.26 g/mol
LogP3.14
Rot. Bonds3

About 7-butyl-5-fluoro-2,3-dihydro-1H-indole

7-butyl-5-fluoro-2,3-dihydro-1H-indole (PubChem CID 119082550) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 7-butyl-5-fluoro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-butyl-5-fluoro-2,3-dihydro-1H-indole
PubChem CID119082550
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name7-butyl-5-fluoro-2,3-dihydro-1H-indole
SMILESCCCCc1cc(F)cc2c1NCC2
InChIInChI=1S/C12H16FN/c1-2-3-4-9-7-11(13)8-10-5-6-14-12(9)10/h7-8,14H,2-6H2,1H3
InChIKeyAFUKFCQCVHRPFA-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-5-fluoro-2,3-dihydro-1H-indole?
The IUPAC name of 7-butyl-5-fluoro-2,3-dihydro-1H-indole (CID 119082550) is 7-butyl-5-fluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-butyl-5-fluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 7-butyl-5-fluoro-2,3-dihydro-1H-indole is CCCCc1cc(F)cc2c1NCC2.
What is the InChIKey of 7-butyl-5-fluoro-2,3-dihydro-1H-indole?
The InChIKey is AFUKFCQCVHRPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-2-3-4-9-7-11(13)8-10-5-6-14-12(9)10/h7-8,14H,2-6H2,1H3.
What are the key properties of 7-butyl-5-fluoro-2,3-dihydro-1H-indole?
7-butyl-5-fluoro-2,3-dihydro-1H-indole has a molecular weight of 193.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-5-fluoro-2,3-dihydro-1H-indole is sourced from PubChem (CID 119082550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).