(5S)-5-amino-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol

C10H12FNO — CID 131140736

IUPAC(5S)-5-amino-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESN[C@H]1CCCc2cc(O)c(F)cc21
InChIInChI=1S/C10H12FNO/c11-8-5-7-6(4-10(8)13)2-1-3-9(7)12/h4-5,9,13H,1-3,12H2/t9-/m0/s1
InChIKeyLRSHQSMAPVHYLF-VIFPVBQESA-N
MW181.21 g/mol
LogP1.87
Rot. Bonds

About (5S)-5-amino-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol

(5S)-5-amino-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 131140736) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (5S)-5-amino-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(5S)-5-amino-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID131140736
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(5S)-5-amino-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESN[C@H]1CCCc2cc(O)c(F)cc21
InChIInChI=1S/C10H12FNO/c11-8-5-7-6(4-10(8)13)2-1-3-9(7)12/h4-5,9,13H,1-3,12H2/t9-/m0/s1
InChIKeyLRSHQSMAPVHYLF-VIFPVBQESA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-amino-3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;tert-butyl N-[(5R)-3-fluoro-2-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]carbamate
CID 159602495
6-fluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 22000970
6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71757709
(1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 162344374
(3S)-3-amino-6-bromo-2,3-dihydro-1H-inden-5-ol
CID 130624664
6-fluoro-5-methyl-2,3-dihydro-1H-inden-1-amine
CID 55294363
(1R,8S)-1,8-diamino-3,4,5,6,7,8-hexahydro-2H-anthracene-1-carboxylic acid
CID 102372506
(1R)-1-amino-6-fluoro-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
CID 66798942
(1R)-7-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 55273686
(6R)-6-amino-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol
CID 20755569
3,6-diamino-2,3-dihydro-1H-inden-5-ol
CID 55294365
1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 21256693

Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (5S)-5-amino-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol (CID 131140736) is (5S)-5-amino-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (5S)-5-amino-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (5S)-5-amino-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol is N[C@H]1CCCc2cc(O)c(F)cc21.
What is the InChIKey of (5S)-5-amino-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is LRSHQSMAPVHYLF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12FNO/c11-8-5-7-6(4-10(8)13)2-1-3-9(7)12/h4-5,9,13H,1-3,12H2/t9-/m0/s1.
What are the key properties of (5S)-5-amino-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol?
(5S)-5-amino-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 181.21 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-3-fluoro-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 131140736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).