2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C14H15BrF3NO2 — CID 79263476

IUPAC2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C1CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H15BrF3NO2/c15-11-3-1-10-6-12(4-2-9(10)5-11)19(7-13(20)21)8-14(16,17)18/h1,3,5,12H,2,4,6-8H2,(H,20,21)
InChIKeyDHGOMWBLOBXCGP-UHFFFAOYSA-N
MW366.18 g/mol
LogP3.26
Rot. Bonds4

About 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79263476) has the molecular formula C14H15BrF3NO2 and a molecular weight of 366.18 g/mol. Its IUPAC name is 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79263476
Molecular FormulaC14H15BrF3NO2
Molecular Weight366.18 g/mol
Exact Mass365.02
IUPAC Name2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C1CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H15BrF3NO2/c15-11-3-1-10-6-12(4-2-9(10)5-11)19(7-13(20)21)8-14(16,17)18/h1,3,5,12H,2,4,6-8H2,(H,20,21)
InChIKeyDHGOMWBLOBXCGP-UHFFFAOYSA-N
XLogP3.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

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Related Compounds

6-Bromo-1,2,3,4-tetrahydronaphthalen-2-amine;2,2,2-trifluoroacetic acid
CID 69185188
2-[1-(4-Bromophenyl)propyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266032
2-[1-(4-Bromophenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266049
2-[1-(3-Bromophenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266349
2-[1,2,3,4-Tetrahydronaphthalen-2-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266645
2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81695047
2-[1-(4-Bromophenyl)propan-2-yl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 105547812
2-[1-(3-Bromophenyl)propyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 108416168
2-[(6-Bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
CID 65055516
(6-Bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-tert-butylcarbamic acid
CID 66735868
2-[[(2S)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]amino]pentanoic acid
CID 69168062
[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid
CID 142689463

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79263476) is 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C1CCc2cc(Br)ccc2C1.
What is the InChIKey of 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is DHGOMWBLOBXCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF3NO2/c15-11-3-1-10-6-12(4-2-9(10)5-11)19(7-13(20)21)8-14(16,17)18/h1,3,5,12H,2,4,6-8H2,(H,20,21).
What are the key properties of 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 366.18 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79263476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).