(5R)-6-amino-5-[(6R)-6-(4,4,4-trifluorobutoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol

C21H32F3NO2 — CID 138467665

IUPAC(5R)-6-amino-5-[(6R)-6-(4,4,4-trifluorobutoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESNCC(CCCCO)c1ccc2c(c1)CC[C@@H](COCCCC(F)(F)F)C2
InChIInChI=1S/C21H32F3NO2/c22-21(23,24)9-3-11-27-15-16-5-6-18-13-19(8-7-17(18)12-16)20(14-25)4-1-2-10-26/h7-8,13,16,20,26H,1-6,9-12,14-15,25H2/t16-,20?/m1/s1
InChIKeyFIIMEGCCARIBSN-QRIPLOBPSA-N
MW387.49 g/mol
LogP4.36
Rot. Bonds11

About (5R)-6-amino-5-[(6R)-6-(4,4,4-trifluorobutoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol

(5R)-6-amino-5-[(6R)-6-(4,4,4-trifluorobutoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (PubChem CID 138467665) has the molecular formula C21H32F3NO2 and a molecular weight of 387.49 g/mol. Its IUPAC name is (5R)-6-amino-5-[(6R)-6-(4,4,4-trifluorobutoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.

Molecular Properties

Compound Name(5R)-6-amino-5-[(6R)-6-(4,4,4-trifluorobutoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
PubChem CID138467665
Molecular FormulaC21H32F3NO2
Molecular Weight387.49 g/mol
Exact Mass387.24
IUPAC Name(5R)-6-amino-5-[(6R)-6-(4,4,4-trifluorobutoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESNCC(CCCCO)c1ccc2c(c1)CC[C@@H](COCCCC(F)(F)F)C2
InChIInChI=1S/C21H32F3NO2/c22-21(23,24)9-3-11-27-15-16-5-6-18-13-19(8-7-17(18)12-16)20(14-25)4-1-2-10-26/h7-8,13,16,20,26H,1-6,9-12,14-15,25H2/t16-,20?/m1/s1
InChIKeyFIIMEGCCARIBSN-QRIPLOBPSA-N
XLogP4.36
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (5R)-6-amino-5-[(6R)-6-(4,4,4-trifluorobutoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-6-amino-5-[(6R)-6-(4,4,4-trifluorobutoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The IUPAC name of (5R)-6-amino-5-[(6R)-6-(4,4,4-trifluorobutoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (CID 138467665) is (5R)-6-amino-5-[(6R)-6-(4,4,4-trifluorobutoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.
What is the SMILES notation for (5R)-6-amino-5-[(6R)-6-(4,4,4-trifluorobutoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The canonical SMILES for (5R)-6-amino-5-[(6R)-6-(4,4,4-trifluorobutoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is NCC(CCCCO)c1ccc2c(c1)CC[C@@H](COCCCC(F)(F)F)C2.
What is the InChIKey of (5R)-6-amino-5-[(6R)-6-(4,4,4-trifluorobutoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The InChIKey is FIIMEGCCARIBSN-QRIPLOBPSA-N. The full InChI is InChI=1S/C21H32F3NO2/c22-21(23,24)9-3-11-27-15-16-5-6-18-13-19(8-7-17(18)12-16)20(14-25)4-1-2-10-26/h7-8,13,16,20,26H,1-6,9-12,14-15,25H2/t16-,20?/m1/s1.
What are the key properties of (5R)-6-amino-5-[(6R)-6-(4,4,4-trifluorobutoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
(5R)-6-amino-5-[(6R)-6-(4,4,4-trifluorobutoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol has a molecular weight of 387.49 g/mol, XLogP of 4.36, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-amino-5-[(6R)-6-(4,4,4-trifluorobutoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is sourced from PubChem (CID 138467665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).