[(3R,4S)-4-amino-7-bromo-3,8-difluoro-2,3-dihydrochromen-4-yl]methanol

C10H10BrF2NO2 — CID 166499709

IUPAC[(3R,4S)-4-amino-7-bromo-3,8-difluoro-2,3-dihydrochromen-4-yl]methanol
SMILESN[C@]1(CO)c2ccc(Br)c(F)c2OC[C@@H]1F
InChIInChI=1S/C10H10BrF2NO2/c11-6-2-1-5-9(8(6)13)16-3-7(12)10(5,14)4-15/h1-2,7,15H,3-4,14H2/t7-,10+/m0/s1
InChIKeyLEYOLDNEWROCQD-OIBJUYFYSA-N
MW294.10 g/mol
LogP1.47
Rot. Bonds1

About [(3R,4S)-4-amino-7-bromo-3,8-difluoro-2,3-dihydrochromen-4-yl]methanol

[(3R,4S)-4-amino-7-bromo-3,8-difluoro-2,3-dihydrochromen-4-yl]methanol (PubChem CID 166499709) has the molecular formula C10H10BrF2NO2 and a molecular weight of 294.10 g/mol. Its IUPAC name is [(3R,4S)-4-amino-7-bromo-3,8-difluoro-2,3-dihydrochromen-4-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-4-amino-7-bromo-3,8-difluoro-2,3-dihydrochromen-4-yl]methanol
PubChem CID166499709
Molecular FormulaC10H10BrF2NO2
Molecular Weight294.10 g/mol
Exact Mass292.99
IUPAC Name[(3R,4S)-4-amino-7-bromo-3,8-difluoro-2,3-dihydrochromen-4-yl]methanol
SMILESN[C@]1(CO)c2ccc(Br)c(F)c2OC[C@@H]1F
InChIInChI=1S/C10H10BrF2NO2/c11-6-2-1-5-9(8(6)13)16-3-7(12)10(5,14)4-15/h1-2,7,15H,3-4,14H2/t7-,10+/m0/s1
InChIKeyLEYOLDNEWROCQD-OIBJUYFYSA-N
XLogP1.47
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-amino-7-bromo-3,8-difluoro-2,3-dihydrochromen-4-yl]methanol?
The IUPAC name of [(3R,4S)-4-amino-7-bromo-3,8-difluoro-2,3-dihydrochromen-4-yl]methanol (CID 166499709) is [(3R,4S)-4-amino-7-bromo-3,8-difluoro-2,3-dihydrochromen-4-yl]methanol.
What is the SMILES notation for [(3R,4S)-4-amino-7-bromo-3,8-difluoro-2,3-dihydrochromen-4-yl]methanol?
The canonical SMILES for [(3R,4S)-4-amino-7-bromo-3,8-difluoro-2,3-dihydrochromen-4-yl]methanol is N[C@]1(CO)c2ccc(Br)c(F)c2OC[C@@H]1F.
What is the InChIKey of [(3R,4S)-4-amino-7-bromo-3,8-difluoro-2,3-dihydrochromen-4-yl]methanol?
The InChIKey is LEYOLDNEWROCQD-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H10BrF2NO2/c11-6-2-1-5-9(8(6)13)16-3-7(12)10(5,14)4-15/h1-2,7,15H,3-4,14H2/t7-,10+/m0/s1.
What are the key properties of [(3R,4S)-4-amino-7-bromo-3,8-difluoro-2,3-dihydrochromen-4-yl]methanol?
[(3R,4S)-4-amino-7-bromo-3,8-difluoro-2,3-dihydrochromen-4-yl]methanol has a molecular weight of 294.10 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-amino-7-bromo-3,8-difluoro-2,3-dihydrochromen-4-yl]methanol is sourced from PubChem (CID 166499709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).