(3S,4S)-4-amino-6-fluoro-8-methyl-3,4-dihydro-2H-chromen-3-ol

C10H12FNO2 — CID 67237409

IUPAC(3S,4S)-4-amino-6-fluoro-8-methyl-3,4-dihydro-2H-chromen-3-ol
SMILESCc1cc(F)cc2c1OC[C@@H](O)[C@H]2N
InChIInChI=1S/C10H12FNO2/c1-5-2-6(11)3-7-9(12)8(13)4-14-10(5)7/h2-3,8-9,13H,4,12H2,1H3/t8-,9+/m1/s1
InChIKeyPNVASLZTXDDEMP-BDAKNGLRSA-N
MW197.21 g/mol
LogP0.89
Rot. Bonds

About (3S,4S)-4-amino-6-fluoro-8-methyl-3,4-dihydro-2H-chromen-3-ol

(3S,4S)-4-amino-6-fluoro-8-methyl-3,4-dihydro-2H-chromen-3-ol (PubChem CID 67237409) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is (3S,4S)-4-amino-6-fluoro-8-methyl-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-amino-6-fluoro-8-methyl-3,4-dihydro-2H-chromen-3-ol
PubChem CID67237409
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name(3S,4S)-4-amino-6-fluoro-8-methyl-3,4-dihydro-2H-chromen-3-ol
SMILESCc1cc(F)cc2c1OC[C@@H](O)[C@H]2N
InChIInChI=1S/C10H12FNO2/c1-5-2-6(11)3-7-9(12)8(13)4-14-10(5)7/h2-3,8-9,13H,4,12H2,1H3/t8-,9+/m1/s1
InChIKeyPNVASLZTXDDEMP-BDAKNGLRSA-N
XLogP0.89
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-amino-6-fluoro-8-methyl-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (3S,4S)-4-amino-6-fluoro-8-methyl-3,4-dihydro-2H-chromen-3-ol (CID 67237409) is (3S,4S)-4-amino-6-fluoro-8-methyl-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (3S,4S)-4-amino-6-fluoro-8-methyl-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (3S,4S)-4-amino-6-fluoro-8-methyl-3,4-dihydro-2H-chromen-3-ol is Cc1cc(F)cc2c1OC[C@@H](O)[C@H]2N.
What is the InChIKey of (3S,4S)-4-amino-6-fluoro-8-methyl-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is PNVASLZTXDDEMP-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-5-2-6(11)3-7-9(12)8(13)4-14-10(5)7/h2-3,8-9,13H,4,12H2,1H3/t8-,9+/m1/s1.
What are the key properties of (3S,4S)-4-amino-6-fluoro-8-methyl-3,4-dihydro-2H-chromen-3-ol?
(3S,4S)-4-amino-6-fluoro-8-methyl-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 197.21 g/mol, XLogP of 0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-amino-6-fluoro-8-methyl-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 67237409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).