2-[(2R,4R)-4-amino-6-bromospiro[3H-chromene-2,3'-oxane]-4-yl]-2,2-difluoroethanol

C15H18BrF2NO3 — CID 71059530

IUPAC2-[(2R,4R)-4-amino-6-bromospiro[3H-chromene-2,3'-oxane]-4-yl]-2,2-difluoroethanol
SMILESN[C@]1(C(F)(F)CO)C[C@@]2(CCCOC2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H18BrF2NO3/c16-10-2-3-12-11(6-10)14(19,15(17,18)8-20)7-13(22-12)4-1-5-21-9-13/h2-3,6,20H,1,4-5,7-9,19H2/t13-,14-/m1/s1
InChIKeyZAWZXFSNSCRDOJ-ZIAGYGMSSA-N
MW378.21 g/mol
LogP2.56
Rot. Bonds2

About 2-[(2R,4R)-4-amino-6-bromospiro[3H-chromene-2,3'-oxane]-4-yl]-2,2-difluoroethanol

2-[(2R,4R)-4-amino-6-bromospiro[3H-chromene-2,3'-oxane]-4-yl]-2,2-difluoroethanol (PubChem CID 71059530) has the molecular formula C15H18BrF2NO3 and a molecular weight of 378.21 g/mol. Its IUPAC name is 2-[(2R,4R)-4-amino-6-bromospiro[3H-chromene-2,3'-oxane]-4-yl]-2,2-difluoroethanol.

Molecular Properties

Compound Name2-[(2R,4R)-4-amino-6-bromospiro[3H-chromene-2,3'-oxane]-4-yl]-2,2-difluoroethanol
PubChem CID71059530
Molecular FormulaC15H18BrF2NO3
Molecular Weight378.21 g/mol
Exact Mass377.04
IUPAC Name2-[(2R,4R)-4-amino-6-bromospiro[3H-chromene-2,3'-oxane]-4-yl]-2,2-difluoroethanol
SMILESN[C@]1(C(F)(F)CO)C[C@@]2(CCCOC2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H18BrF2NO3/c16-10-2-3-12-11(6-10)14(19,15(17,18)8-20)7-13(22-12)4-1-5-21-9-13/h2-3,6,20H,1,4-5,7-9,19H2/t13-,14-/m1/s1
InChIKeyZAWZXFSNSCRDOJ-ZIAGYGMSSA-N
XLogP2.56
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-4-amino-6-bromospiro[3H-chromene-2,3'-oxane]-4-yl]-2,2-difluoroethanol?
The IUPAC name of 2-[(2R,4R)-4-amino-6-bromospiro[3H-chromene-2,3'-oxane]-4-yl]-2,2-difluoroethanol (CID 71059530) is 2-[(2R,4R)-4-amino-6-bromospiro[3H-chromene-2,3'-oxane]-4-yl]-2,2-difluoroethanol.
What is the SMILES notation for 2-[(2R,4R)-4-amino-6-bromospiro[3H-chromene-2,3'-oxane]-4-yl]-2,2-difluoroethanol?
The canonical SMILES for 2-[(2R,4R)-4-amino-6-bromospiro[3H-chromene-2,3'-oxane]-4-yl]-2,2-difluoroethanol is N[C@]1(C(F)(F)CO)C[C@@]2(CCCOC2)Oc2ccc(Br)cc21.
What is the InChIKey of 2-[(2R,4R)-4-amino-6-bromospiro[3H-chromene-2,3'-oxane]-4-yl]-2,2-difluoroethanol?
The InChIKey is ZAWZXFSNSCRDOJ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H18BrF2NO3/c16-10-2-3-12-11(6-10)14(19,15(17,18)8-20)7-13(22-12)4-1-5-21-9-13/h2-3,6,20H,1,4-5,7-9,19H2/t13-,14-/m1/s1.
What are the key properties of 2-[(2R,4R)-4-amino-6-bromospiro[3H-chromene-2,3'-oxane]-4-yl]-2,2-difluoroethanol?
2-[(2R,4R)-4-amino-6-bromospiro[3H-chromene-2,3'-oxane]-4-yl]-2,2-difluoroethanol has a molecular weight of 378.21 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-4-amino-6-bromospiro[3H-chromene-2,3'-oxane]-4-yl]-2,2-difluoroethanol is sourced from PubChem (CID 71059530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).