5'-chloro-8-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole]

C19H17ClFNO — CID 19083851

IUPAC5'-chloro-8-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCN1c2ccc(Cl)cc2C(C)(C)C12C=Cc1cccc(F)c1O2
InChIInChI=1S/C19H17ClFNO/c1-18(2)14-11-13(20)7-8-16(14)22(3)19(18)10-9-12-5-4-6-15(21)17(12)23-19/h4-11H,1-3H3
InChIKeyIGMHBAMSYQHWHO-UHFFFAOYSA-N
MW329.80 g/mol
LogP5.01
Rot. Bonds

About 5'-chloro-8-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole]

5'-chloro-8-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole] (PubChem CID 19083851) has the molecular formula C19H17ClFNO and a molecular weight of 329.80 g/mol. Its IUPAC name is 5'-chloro-8-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole].

Molecular Properties

Compound Name5'-chloro-8-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
PubChem CID19083851
Molecular FormulaC19H17ClFNO
Molecular Weight329.80 g/mol
Exact Mass329.10
IUPAC Name5'-chloro-8-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCN1c2ccc(Cl)cc2C(C)(C)C12C=Cc1cccc(F)c1O2
InChIInChI=1S/C19H17ClFNO/c1-18(2)14-11-13(20)7-8-16(14)22(3)19(18)10-9-12-5-4-6-15(21)17(12)23-19/h4-11H,1-3H3
InChIKeyIGMHBAMSYQHWHO-UHFFFAOYSA-N
XLogP5.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.80
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5'-chloro-8-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5'-chloro-8-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The IUPAC name of 5'-chloro-8-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole] (CID 19083851) is 5'-chloro-8-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole].
What is the SMILES notation for 5'-chloro-8-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The canonical SMILES for 5'-chloro-8-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole] is CN1c2ccc(Cl)cc2C(C)(C)C12C=Cc1cccc(F)c1O2.
What is the InChIKey of 5'-chloro-8-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The InChIKey is IGMHBAMSYQHWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO/c1-18(2)14-11-13(20)7-8-16(14)22(3)19(18)10-9-12-5-4-6-15(21)17(12)23-19/h4-11H,1-3H3.
What are the key properties of 5'-chloro-8-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
5'-chloro-8-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole] has a molecular weight of 329.80 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-chloro-8-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole] is sourced from PubChem (CID 19083851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).