(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone

C20H20FNO2 — CID 166244109

IUPAC(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone
SMILESO=C(c1ccc(CO)cc1)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C20H20FNO2/c21-16-4-3-5-17-18(16)20(10-1-2-11-20)13-22(17)19(24)15-8-6-14(12-23)7-9-15/h3-9,23H,1-2,10-13H2
InChIKeyWVSOKAKGYCEQTJ-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.79
Rot. Bonds2

About (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone

(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone (PubChem CID 166244109) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone
PubChem CID166244109
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone
SMILESO=C(c1ccc(CO)cc1)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C20H20FNO2/c21-16-4-3-5-17-18(16)20(10-1-2-11-20)13-22(17)19(24)15-8-6-14(12-23)7-9-15/h3-9,23H,1-2,10-13H2
InChIKeyWVSOKAKGYCEQTJ-UHFFFAOYSA-N
XLogP3.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone?
The IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone (CID 166244109) is (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone.
What is the SMILES notation for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone?
The canonical SMILES for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone is O=C(c1ccc(CO)cc1)N1CC2(CCCC2)c2c(F)cccc21.
What is the InChIKey of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone?
The InChIKey is WVSOKAKGYCEQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c21-16-4-3-5-17-18(16)20(10-1-2-11-20)13-22(17)19(24)15-8-6-14(12-23)7-9-15/h3-9,23H,1-2,10-13H2.
What are the key properties of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone?
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone has a molecular weight of 325.38 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[4-(hydroxymethyl)phenyl]methanone is sourced from PubChem (CID 166244109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).