3-(1-cyclohexylethyl)-5-fluoro-2,3-dihydro-1H-indole

C16H22FN — CID 106985960

IUPAC3-(1-cyclohexylethyl)-5-fluoro-2,3-dihydro-1H-indole
SMILESCC(C1CCCCC1)C1CNc2ccc(F)cc21
InChIInChI=1S/C16H22FN/c1-11(12-5-3-2-4-6-12)15-10-18-16-8-7-13(17)9-14(15)16/h7-9,11-12,15,18H,2-6,10H2,1H3
InChIKeyDCELASMPNSWEKF-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.55
Rot. Bonds2

About 3-(1-cyclohexylethyl)-5-fluoro-2,3-dihydro-1H-indole

3-(1-cyclohexylethyl)-5-fluoro-2,3-dihydro-1H-indole (PubChem CID 106985960) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-(1-cyclohexylethyl)-5-fluoro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(1-cyclohexylethyl)-5-fluoro-2,3-dihydro-1H-indole
PubChem CID106985960
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC Name3-(1-cyclohexylethyl)-5-fluoro-2,3-dihydro-1H-indole
SMILESCC(C1CCCCC1)C1CNc2ccc(F)cc21
InChIInChI=1S/C16H22FN/c1-11(12-5-3-2-4-6-12)15-10-18-16-8-7-13(17)9-14(15)16/h7-9,11-12,15,18H,2-6,10H2,1H3
InChIKeyDCELASMPNSWEKF-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylethyl)-5-fluoro-2,3-dihydro-1H-indole?
The IUPAC name of 3-(1-cyclohexylethyl)-5-fluoro-2,3-dihydro-1H-indole (CID 106985960) is 3-(1-cyclohexylethyl)-5-fluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(1-cyclohexylethyl)-5-fluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(1-cyclohexylethyl)-5-fluoro-2,3-dihydro-1H-indole is CC(C1CCCCC1)C1CNc2ccc(F)cc21.
What is the InChIKey of 3-(1-cyclohexylethyl)-5-fluoro-2,3-dihydro-1H-indole?
The InChIKey is DCELASMPNSWEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c1-11(12-5-3-2-4-6-12)15-10-18-16-8-7-13(17)9-14(15)16/h7-9,11-12,15,18H,2-6,10H2,1H3.
What are the key properties of 3-(1-cyclohexylethyl)-5-fluoro-2,3-dihydro-1H-indole?
3-(1-cyclohexylethyl)-5-fluoro-2,3-dihydro-1H-indole has a molecular weight of 247.36 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylethyl)-5-fluoro-2,3-dihydro-1H-indole is sourced from PubChem (CID 106985960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).