7-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole]

C19H18FNO — CID 19084457

IUPAC7-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1ccc(F)cc1O2
InChIInChI=1S/C19H18FNO/c1-18(2)15-6-4-5-7-16(15)21(3)19(18)11-10-13-8-9-14(20)12-17(13)22-19/h4-12H,1-3H3
InChIKeyIOUJCMBJKIMKFA-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.36
Rot. Bonds

About 7-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole]

7-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole] (PubChem CID 19084457) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is 7-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole].

Molecular Properties

Compound Name7-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
PubChem CID19084457
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Name7-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole]
SMILESCN1c2ccccc2C(C)(C)C12C=Cc1ccc(F)cc1O2
InChIInChI=1S/C19H18FNO/c1-18(2)15-6-4-5-7-16(15)21(3)19(18)11-10-13-8-9-14(20)12-17(13)22-19/h4-12H,1-3H3
InChIKeyIOUJCMBJKIMKFA-UHFFFAOYSA-N
XLogP4.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The IUPAC name of 7-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole] (CID 19084457) is 7-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole].
What is the SMILES notation for 7-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The canonical SMILES for 7-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole] is CN1c2ccccc2C(C)(C)C12C=Cc1ccc(F)cc1O2.
What is the InChIKey of 7-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
The InChIKey is IOUJCMBJKIMKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO/c1-18(2)15-6-4-5-7-16(15)21(3)19(18)11-10-13-8-9-14(20)12-17(13)22-19/h4-12H,1-3H3.
What are the key properties of 7-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole]?
7-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole] has a molecular weight of 295.36 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1',3',3'-trimethylspiro[chromene-2,2'-indole] is sourced from PubChem (CID 19084457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).