(1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

C12H14F3NO — CID 114091185

IUPAC(1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@@H]1CCCc2ccc(OCC(F)(F)F)cc21
InChIInChI=1S/C12H14F3NO/c13-12(14,15)7-17-9-5-4-8-2-1-3-11(16)10(8)6-9/h4-6,11H,1-3,7,16H2/t11-/m1/s1
InChIKeyXSGRAZGCOOAEAL-LLVKDONJSA-N
MW245.24 g/mol
LogP2.96
Rot. Bonds2

About (1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 114091185) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is (1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID114091185
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name(1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@@H]1CCCc2ccc(OCC(F)(F)F)cc21
InChIInChI=1S/C12H14F3NO/c13-12(14,15)7-17-9-5-4-8-2-1-3-11(16)10(8)6-9/h4-6,11H,1-3,7,16H2/t11-/m1/s1
InChIKeyXSGRAZGCOOAEAL-LLVKDONJSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethanol
CID 103719192
3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62737273
(5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014278
(1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114091177
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
(1S)-7-pent-3-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114091155
6-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80698721
1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 21256693
(1R)-1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 55277801
7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82541502
(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 21104537
2-cyclohexyl-5-(2,2,2-trifluoroethoxy)aniline
CID 172674976

Frequently Asked Questions

What is the IUPAC name of (1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 114091185) is (1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is N[C@@H]1CCCc2ccc(OCC(F)(F)F)cc21.
What is the InChIKey of (1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is XSGRAZGCOOAEAL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)7-17-9-5-4-8-2-1-3-11(16)10(8)6-9/h4-6,11H,1-3,7,16H2/t11-/m1/s1.
What are the key properties of (1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 245.24 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 114091185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).