(5R)-6-amino-5-[(6R)-6-[[5-(trifluoromethyl)thiophen-2-yl]methoxymethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol

C23H30F3NO2S — CID 138467680

IUPAC(5R)-6-amino-5-[(6R)-6-[[5-(trifluoromethyl)thiophen-2-yl]methoxymethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESNC[C@H](CCCCO)c1ccc2c(c1)CC[C@@H](COCc1ccc(C(F)(F)F)s1)C2
InChIInChI=1S/C23H30F3NO2S/c24-23(25,26)22-9-8-21(30-22)15-29-14-16-4-5-18-12-19(7-6-17(18)11-16)20(13-27)3-1-2-10-28/h6-9,12,16,20,28H,1-5,10-11,13-15,27H2/t16-,20+/m1/s1
InChIKeyBYHDTQRBKDAKFX-UZLBHIALSA-N
MW441.56 g/mol
LogP5.29
Rot. Bonds10

About (5R)-6-amino-5-[(6R)-6-[[5-(trifluoromethyl)thiophen-2-yl]methoxymethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol

(5R)-6-amino-5-[(6R)-6-[[5-(trifluoromethyl)thiophen-2-yl]methoxymethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (PubChem CID 138467680) has the molecular formula C23H30F3NO2S and a molecular weight of 441.56 g/mol. Its IUPAC name is (5R)-6-amino-5-[(6R)-6-[[5-(trifluoromethyl)thiophen-2-yl]methoxymethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.

Molecular Properties

Compound Name(5R)-6-amino-5-[(6R)-6-[[5-(trifluoromethyl)thiophen-2-yl]methoxymethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
PubChem CID138467680
Molecular FormulaC23H30F3NO2S
Molecular Weight441.56 g/mol
Exact Mass441.19
IUPAC Name(5R)-6-amino-5-[(6R)-6-[[5-(trifluoromethyl)thiophen-2-yl]methoxymethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol
SMILESNC[C@H](CCCCO)c1ccc2c(c1)CC[C@@H](COCc1ccc(C(F)(F)F)s1)C2
InChIInChI=1S/C23H30F3NO2S/c24-23(25,26)22-9-8-21(30-22)15-29-14-16-4-5-18-12-19(7-6-17(18)11-16)20(13-27)3-1-2-10-28/h6-9,12,16,20,28H,1-5,10-11,13-15,27H2/t16-,20+/m1/s1
InChIKeyBYHDTQRBKDAKFX-UZLBHIALSA-N
XLogP5.29
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-6-amino-5-[(6R)-6-[[5-(trifluoromethyl)thiophen-2-yl]methoxymethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The IUPAC name of (5R)-6-amino-5-[(6R)-6-[[5-(trifluoromethyl)thiophen-2-yl]methoxymethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol (CID 138467680) is (5R)-6-amino-5-[(6R)-6-[[5-(trifluoromethyl)thiophen-2-yl]methoxymethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol.
What is the SMILES notation for (5R)-6-amino-5-[(6R)-6-[[5-(trifluoromethyl)thiophen-2-yl]methoxymethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The canonical SMILES for (5R)-6-amino-5-[(6R)-6-[[5-(trifluoromethyl)thiophen-2-yl]methoxymethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is NC[C@H](CCCCO)c1ccc2c(c1)CC[C@@H](COCc1ccc(C(F)(F)F)s1)C2.
What is the InChIKey of (5R)-6-amino-5-[(6R)-6-[[5-(trifluoromethyl)thiophen-2-yl]methoxymethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
The InChIKey is BYHDTQRBKDAKFX-UZLBHIALSA-N. The full InChI is InChI=1S/C23H30F3NO2S/c24-23(25,26)22-9-8-21(30-22)15-29-14-16-4-5-18-12-19(7-6-17(18)11-16)20(13-27)3-1-2-10-28/h6-9,12,16,20,28H,1-5,10-11,13-15,27H2/t16-,20+/m1/s1.
What are the key properties of (5R)-6-amino-5-[(6R)-6-[[5-(trifluoromethyl)thiophen-2-yl]methoxymethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol?
(5R)-6-amino-5-[(6R)-6-[[5-(trifluoromethyl)thiophen-2-yl]methoxymethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol has a molecular weight of 441.56 g/mol, XLogP of 5.29, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-amino-5-[(6R)-6-[[5-(trifluoromethyl)thiophen-2-yl]methoxymethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]hexan-1-ol is sourced from PubChem (CID 138467680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).