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

C10H11BrFNO2 — CID 131428867

IUPAC[(4S)-4-amino-7-bromo-8-fluoro-2,3-dihydrochromen-4-yl]methanol
SMILESN[C@@]1(CO)CCOc2c1ccc(Br)c2F
InChIInChI=1S/C10H11BrFNO2/c11-7-2-1-6-9(8(7)12)15-4-3-10(6,13)5-14/h1-2,14H,3-5,13H2/t10-/m1/s1
InChIKeyNYXDGQFHLFOWPQ-SNVBAGLBSA-N
MW276.10 g/mol
LogP1.52
Rot. Bonds1

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

[(4S)-4-amino-7-bromo-8-fluoro-2,3-dihydrochromen-4-yl]methanol (PubChem CID 131428867) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.10 g/mol. Its IUPAC name is [(4S)-4-amino-7-bromo-8-fluoro-2,3-dihydrochromen-4-yl]methanol.

Molecular Properties

Compound Name[(4S)-4-amino-7-bromo-8-fluoro-2,3-dihydrochromen-4-yl]methanol
PubChem CID131428867
Molecular FormulaC10H11BrFNO2
Molecular Weight276.10 g/mol
Exact Mass275.00
IUPAC Name[(4S)-4-amino-7-bromo-8-fluoro-2,3-dihydrochromen-4-yl]methanol
SMILESN[C@@]1(CO)CCOc2c1ccc(Br)c2F
InChIInChI=1S/C10H11BrFNO2/c11-7-2-1-6-9(8(7)12)15-4-3-10(6,13)5-14/h1-2,14H,3-5,13H2/t10-/m1/s1
InChIKeyNYXDGQFHLFOWPQ-SNVBAGLBSA-N
XLogP1.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3,4-dihydro-2H-1-benzopyran-4-yl)methanol
CID 61054620
3-[2-(1-Aminoethyl)-5-bromophenoxy]propan-1-ol
CID 82976015
(4R)-7-bromo-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine
CID 68594787
7-Bromo-2,2-bis(fluoromethyl)-3,4-dihydrochromen-4-amine
CID 68594793
(R)-2-(4-Amino-6-bromochroman-4-YL)-2,2-difluoroethanol
CID 71059638
2-[(4S)-4-amino-6-bromo-2,3-dihydrochromen-4-yl]-2,2-difluoroethanol
CID 71059665
2-(4-Amino-6-bromo-2,3-dihydrochromen-4-yl)-2,2-difluoroethanol
CID 71059668
(S)-7-Bromo-6-fluorochroman-4-amine
CID 79016430
7-Bromo-8-fluorochroman-4-amine
CID 129941560
4-Amino-7-bromo-8-fluorochroman-4-carboxylic acid
CID 129943868
[(4R)-4-amino-7,8-difluoro-2,3-dihydrochromen-4-yl]methanol
CID 131270301
[(4R)-4-amino-7-bromo-8-fluoro-2,3-dihydrochromen-4-yl]methanol
CID 131321488

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-amino-7-bromo-8-fluoro-2,3-dihydrochromen-4-yl]methanol?
The IUPAC name of [(4S)-4-amino-7-bromo-8-fluoro-2,3-dihydrochromen-4-yl]methanol (CID 131428867) is [(4S)-4-amino-7-bromo-8-fluoro-2,3-dihydrochromen-4-yl]methanol.
What is the SMILES notation for [(4S)-4-amino-7-bromo-8-fluoro-2,3-dihydrochromen-4-yl]methanol?
The canonical SMILES for [(4S)-4-amino-7-bromo-8-fluoro-2,3-dihydrochromen-4-yl]methanol is N[C@@]1(CO)CCOc2c1ccc(Br)c2F.
What is the InChIKey of [(4S)-4-amino-7-bromo-8-fluoro-2,3-dihydrochromen-4-yl]methanol?
The InChIKey is NYXDGQFHLFOWPQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c11-7-2-1-6-9(8(7)12)15-4-3-10(6,13)5-14/h1-2,14H,3-5,13H2/t10-/m1/s1.
What are the key properties of [(4S)-4-amino-7-bromo-8-fluoro-2,3-dihydrochromen-4-yl]methanol?
[(4S)-4-amino-7-bromo-8-fluoro-2,3-dihydrochromen-4-yl]methanol has a molecular weight of 276.10 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-amino-7-bromo-8-fluoro-2,3-dihydrochromen-4-yl]methanol is sourced from PubChem (CID 131428867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).