3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1,1-trifluoropropan-2-ol

C13H15BrF3NO — CID 103778664

IUPAC3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNC1CCc2cc(Br)ccc2C1)C(F)(F)F
InChIInChI=1S/C13H15BrF3NO/c14-10-3-1-9-6-11(4-2-8(9)5-10)18-7-12(19)13(15,16)17/h1,3,5,11-12,18-19H,2,4,6-7H2
InChIKeyOKPXAXHSEFHULR-UHFFFAOYSA-N
MW338.17 g/mol
LogP2.82
Rot. Bonds3

About 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1,1-trifluoropropan-2-ol

3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103778664) has the molecular formula C13H15BrF3NO and a molecular weight of 338.17 g/mol. Its IUPAC name is 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID103778664
Molecular FormulaC13H15BrF3NO
Molecular Weight338.17 g/mol
Exact Mass337.03
IUPAC Name3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNC1CCc2cc(Br)ccc2C1)C(F)(F)F
InChIInChI=1S/C13H15BrF3NO/c14-10-3-1-9-6-11(4-2-8(9)5-10)18-7-12(19)13(15,16)17/h1,3,5,11-12,18-19H,2,4,6-7H2
InChIKeyOKPXAXHSEFHULR-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 103778664) is 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1,1-trifluoropropan-2-ol is OC(CNC1CCc2cc(Br)ccc2C1)C(F)(F)F.
What is the InChIKey of 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is OKPXAXHSEFHULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO/c14-10-3-1-9-6-11(4-2-8(9)5-10)18-7-12(19)13(15,16)17/h1,3,5,11-12,18-19H,2,4,6-7H2.
What are the key properties of 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 338.17 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103778664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).