(1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol

C10H12FNO — CID 51600890

IUPAC(1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESN[C@@H]1CCc2cc(F)ccc2[C@H]1O
InChIInChI=1S/C10H12FNO/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h2-3,5,9-10,13H,1,4,12H2/t9-,10-/m1/s1
InChIKeyIZBOVOOBXRBHLR-NXEZZACHSA-N
MW181.21 g/mol
LogP1.13
Rot. Bonds

About (1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol

(1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 51600890) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID51600890
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESN[C@@H]1CCc2cc(F)ccc2[C@H]1O
InChIInChI=1S/C10H12FNO/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h2-3,5,9-10,13H,1,4,12H2/t9-,10-/m1/s1
InChIKeyIZBOVOOBXRBHLR-NXEZZACHSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol (CID 51600890) is (1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol is N[C@@H]1CCc2cc(F)ccc2[C@H]1O.
What is the InChIKey of (1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is IZBOVOOBXRBHLR-NXEZZACHSA-N. The full InChI is InChI=1S/C10H12FNO/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h2-3,5,9-10,13H,1,4,12H2/t9-,10-/m1/s1.
What are the key properties of (1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol?
(1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 181.21 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 51600890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).