(2S)-6'-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one

C22H14FNO — CID 134957996

IUPAC(2S)-6'-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one
SMILESO=C1c2ccccc2C[C@]12C(c1ccccc1)=Nc1cc(F)ccc12
InChIInChI=1S/C22H14FNO/c23-16-10-11-18-19(12-16)24-20(14-6-2-1-3-7-14)22(18)13-15-8-4-5-9-17(15)21(22)25/h1-12H,13H2/t22-/m0/s1
InChIKeySRFZNLFZJULPGC-QFIPXVFZSA-N
MW327.36 g/mol
LogP4.64
Rot. Bonds1

About (2S)-6'-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one

(2S)-6'-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one (PubChem CID 134957996) has the molecular formula C22H14FNO and a molecular weight of 327.36 g/mol. Its IUPAC name is (2S)-6'-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one.

Molecular Properties

Compound Name(2S)-6'-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one
PubChem CID134957996
Molecular FormulaC22H14FNO
Molecular Weight327.36 g/mol
Exact Mass327.11
IUPAC Name(2S)-6'-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one
SMILESO=C1c2ccccc2C[C@]12C(c1ccccc1)=Nc1cc(F)ccc12
InChIInChI=1S/C22H14FNO/c23-16-10-11-18-19(12-16)24-20(14-6-2-1-3-7-14)22(18)13-15-8-4-5-9-17(15)21(22)25/h1-12H,13H2/t22-/m0/s1
InChIKeySRFZNLFZJULPGC-QFIPXVFZSA-N
XLogP4.64
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-6'-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one?
The IUPAC name of (2S)-6'-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one (CID 134957996) is (2S)-6'-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one.
What is the SMILES notation for (2S)-6'-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one?
The canonical SMILES for (2S)-6'-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one is O=C1c2ccccc2C[C@]12C(c1ccccc1)=Nc1cc(F)ccc12.
What is the InChIKey of (2S)-6'-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one?
The InChIKey is SRFZNLFZJULPGC-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H14FNO/c23-16-10-11-18-19(12-16)24-20(14-6-2-1-3-7-14)22(18)13-15-8-4-5-9-17(15)21(22)25/h1-12H,13H2/t22-/m0/s1.
What are the key properties of (2S)-6'-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one?
(2S)-6'-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one has a molecular weight of 327.36 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6'-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one is sourced from PubChem (CID 134957996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).