1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride

C13H13ClF3NO — CID 171212454

IUPAC1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1c(O)ccc2ccccc12
InChIInChI=1S/C13H12F3NO.ClH/c14-13(15,16)7-10(17)12-9-4-2-1-3-8(9)5-6-11(12)18;/h1-6,10,18H,7,17H2;1H/t10-;/m1./s1
InChIKeyGYQQCESQDRZRFL-HNCPQSOCSA-N
MW291.70 g/mol
LogP3.92
Rot. Bonds2

About 1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride

1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride (PubChem CID 171212454) has the molecular formula C13H13ClF3NO and a molecular weight of 291.70 g/mol. Its IUPAC name is 1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride
PubChem CID171212454
Molecular FormulaC13H13ClF3NO
Molecular Weight291.70 g/mol
Exact Mass291.06
IUPAC Name1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride
SMILESCl.N[C@H](CC(F)(F)F)c1c(O)ccc2ccccc12
InChIInChI=1S/C13H12F3NO.ClH/c14-13(15,16)7-10(17)12-9-4-2-1-3-8(9)5-6-11(12)18;/h1-6,10,18H,7,17H2;1H/t10-;/m1./s1
InChIKeyGYQQCESQDRZRFL-HNCPQSOCSA-N
XLogP3.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1,2-diaminoethyl]naphthalen-2-ol;hydrochloride
CID 171232039
(1R)-3,3,3-trifluoro-1-(2-methoxynaphthalen-1-yl)propan-1-amine;hydrochloride
CID 171212938
1-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]naphthalen-2-ol;hydrochloride
CID 171243784
1-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]naphthalen-2-ol;hydrochloride
CID 171250513
1-(1-amino-2-hydroxyethyl)naphthalen-2-ol
CID 77129792
1-(1-amino-3-hydroxypropyl)naphthalen-2-ol;hydrochloride
CID 170874425
1-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]naphthalen-2-ol
CID 171243783
1-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]naphthalen-2-ol
CID 171250512
1-[(1S)-1-aminopropyl]naphthalen-2-ol
CID 93030603
1-[(1S)-1-aminobut-3-enyl]naphthalen-2-ol;hydrochloride
CID 171232050
3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
CID 62790893
3-amino-3-(2-hydroxynaphthalen-1-yl)propanamide
CID 170875681

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride?
The IUPAC name of 1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride (CID 171212454) is 1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride?
The canonical SMILES for 1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride is Cl.N[C@H](CC(F)(F)F)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride?
The InChIKey is GYQQCESQDRZRFL-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H12F3NO.ClH/c14-13(15,16)7-10(17)12-9-4-2-1-3-8(9)5-6-11(12)18;/h1-6,10,18H,7,17H2;1H/t10-;/m1./s1.
What are the key properties of 1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride?
1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride has a molecular weight of 291.70 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-amino-3,3,3-trifluoropropyl]naphthalen-2-ol;hydrochloride is sourced from PubChem (CID 171212454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).