(1S,2R,4S)-4-amino-1-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol

C10H12FNO — CID 132933199

IUPAC(1S,2R,4S)-4-amino-1-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESN[C@H]1C[C@@H](O)[C@@H](F)c2ccccc21
InChIInChI=1S/C10H12FNO/c11-10-7-4-2-1-3-6(7)8(12)5-9(10)13/h1-4,8-10,13H,5,12H2/t8-,9+,10-/m0/s1
InChIKeyLBMDUUDJMCKOMR-AEJSXWLSSA-N
MW181.21 g/mol
LogP1.46
Rot. Bonds

About (1S,2R,4S)-4-amino-1-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol

(1S,2R,4S)-4-amino-1-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 132933199) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (1S,2R,4S)-4-amino-1-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(1S,2R,4S)-4-amino-1-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID132933199
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(1S,2R,4S)-4-amino-1-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESN[C@H]1C[C@@H](O)[C@@H](F)c2ccccc21
InChIInChI=1S/C10H12FNO/c11-10-7-4-2-1-3-6(7)8(12)5-9(10)13/h1-4,8-10,13H,5,12H2/t8-,9+,10-/m0/s1
InChIKeyLBMDUUDJMCKOMR-AEJSXWLSSA-N
XLogP1.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-4-amino-1-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (1S,2R,4S)-4-amino-1-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol (CID 132933199) is (1S,2R,4S)-4-amino-1-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (1S,2R,4S)-4-amino-1-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (1S,2R,4S)-4-amino-1-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol is N[C@H]1C[C@@H](O)[C@@H](F)c2ccccc21.
What is the InChIKey of (1S,2R,4S)-4-amino-1-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is LBMDUUDJMCKOMR-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H12FNO/c11-10-7-4-2-1-3-6(7)8(12)5-9(10)13/h1-4,8-10,13H,5,12H2/t8-,9+,10-/m0/s1.
What are the key properties of (1S,2R,4S)-4-amino-1-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol?
(1S,2R,4S)-4-amino-1-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 181.21 g/mol, XLogP of 1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-4-amino-1-fluoro-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 132933199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).