3-cyclohexyl-1-(5-fluoro-1H-indol-2-yl)propan-1-one

C17H20FNO — CID 58125958

IUPAC3-cyclohexyl-1-(5-fluoro-1H-indol-2-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C17H20FNO/c18-14-7-8-15-13(10-14)11-16(19-15)17(20)9-6-12-4-2-1-3-5-12/h7-8,10-12,19H,1-6,9H2
InChIKeyNGPNIJSPCXVVLA-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.85
Rot. Bonds4

About 3-cyclohexyl-1-(5-fluoro-1H-indol-2-yl)propan-1-one

3-cyclohexyl-1-(5-fluoro-1H-indol-2-yl)propan-1-one (PubChem CID 58125958) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 3-cyclohexyl-1-(5-fluoro-1H-indol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(5-fluoro-1H-indol-2-yl)propan-1-one
PubChem CID58125958
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name3-cyclohexyl-1-(5-fluoro-1H-indol-2-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C17H20FNO/c18-14-7-8-15-13(10-14)11-16(19-15)17(20)9-6-12-4-2-1-3-5-12/h7-8,10-12,19H,1-6,9H2
InChIKeyNGPNIJSPCXVVLA-UHFFFAOYSA-N
XLogP4.85
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(5-fluoro-1H-indol-2-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(5-fluoro-1H-indol-2-yl)propan-1-one (CID 58125958) is 3-cyclohexyl-1-(5-fluoro-1H-indol-2-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(5-fluoro-1H-indol-2-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(5-fluoro-1H-indol-2-yl)propan-1-one is O=C(CCC1CCCCC1)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 3-cyclohexyl-1-(5-fluoro-1H-indol-2-yl)propan-1-one?
The InChIKey is NGPNIJSPCXVVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c18-14-7-8-15-13(10-14)11-16(19-15)17(20)9-6-12-4-2-1-3-5-12/h7-8,10-12,19H,1-6,9H2.
What are the key properties of 3-cyclohexyl-1-(5-fluoro-1H-indol-2-yl)propan-1-one?
3-cyclohexyl-1-(5-fluoro-1H-indol-2-yl)propan-1-one has a molecular weight of 273.35 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(5-fluoro-1H-indol-2-yl)propan-1-one is sourced from PubChem (CID 58125958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).