6'-Bromo-4''-fluorodispiro[cyclopropane-1,3'-chromene-4',1''-isoindol]-3''-amine

C18H14BrFN2O — CID 86724297

IUPAC—
SMILESNC1=NC2(c3cc(Br)ccc3OCC23CC3)c2cccc(F)c21
InChIInChI=1S/C18H14BrFN2O/c19-10-4-5-14-12(8-10)18(17(6-7-17)9-23-14)11-2-1-3-13(20)15(11)16(21)22-18/h1-5,8H,6-7,9H2,(H2,21,22)
InChIKeyQVWGEWNOPBCBAV-UHFFFAOYSA-N
MW373.23 g/mol
LogP3.72
Rot. Bonds

About 6'-Bromo-4''-fluorodispiro[cyclopropane-1,3'-chromene-4',1''-isoindol]-3''-amine

6'-Bromo-4''-fluorodispiro[cyclopropane-1,3'-chromene-4',1''-isoindol]-3''-amine (PubChem CID 86724297) has the molecular formula C18H14BrFN2O and a molecular weight of 373.23 g/mol.

Molecular Properties

Compound Name6'-Bromo-4''-fluorodispiro[cyclopropane-1,3'-chromene-4',1''-isoindol]-3''-amine
PubChem CID86724297
Molecular FormulaC18H14BrFN2O
Molecular Weight373.23 g/mol
Exact Mass372.03
IUPAC Name—
SMILESNC1=NC2(c3cc(Br)ccc3OCC23CC3)c2cccc(F)c21
InChIInChI=1S/C18H14BrFN2O/c19-10-4-5-14-12(8-10)18(17(6-7-17)9-23-14)11-2-1-3-13(20)15(11)16(21)22-18/h1-5,8H,6-7,9H2,(H2,21,22)
InChIKeyQVWGEWNOPBCBAV-UHFFFAOYSA-N
XLogP3.72
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 86724231
CID 86724231
CID 90025002
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CID 90026141
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CID 90056191
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CID 58465886
CID 58465886
CID 58465980
CID 58465980
CID 58466118
CID 58466118
CID 58579507
CID 58579507
CID 58579521
CID 58579521
CID 59272338
CID 59272338
CID 59272366
CID 59272366
CID 70228013
CID 70228013

Frequently Asked Questions

What is the IUPAC name of 6'-Bromo-4''-fluorodispiro[cyclopropane-1,3'-chromene-4',1''-isoindol]-3''-amine?
The IUPAC name of 6'-Bromo-4''-fluorodispiro[cyclopropane-1,3'-chromene-4',1''-isoindol]-3''-amine (CID 86724297) is not available.
What is the SMILES notation for 6'-Bromo-4''-fluorodispiro[cyclopropane-1,3'-chromene-4',1''-isoindol]-3''-amine?
The canonical SMILES for 6'-Bromo-4''-fluorodispiro[cyclopropane-1,3'-chromene-4',1''-isoindol]-3''-amine is NC1=NC2(c3cc(Br)ccc3OCC23CC3)c2cccc(F)c21.
What is the InChIKey of 6'-Bromo-4''-fluorodispiro[cyclopropane-1,3'-chromene-4',1''-isoindol]-3''-amine?
The InChIKey is QVWGEWNOPBCBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN2O/c19-10-4-5-14-12(8-10)18(17(6-7-17)9-23-14)11-2-1-3-13(20)15(11)16(21)22-18/h1-5,8H,6-7,9H2,(H2,21,22).
What are the key properties of 6'-Bromo-4''-fluorodispiro[cyclopropane-1,3'-chromene-4',1''-isoindol]-3''-amine?
6'-Bromo-4''-fluorodispiro[cyclopropane-1,3'-chromene-4',1''-isoindol]-3''-amine has a molecular weight of 373.23 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-Bromo-4''-fluorodispiro[cyclopropane-1,3'-chromene-4',1''-isoindol]-3''-amine is sourced from PubChem (CID 86724297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).