(2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C11H12F3N — CID 131605067

IUPAC(2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESN[C@H]1CCc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C11H12F3N/c12-11(13,14)9-3-1-7-2-4-10(15)6-8(7)5-9/h1,3,5,10H,2,4,6,15H2/t10-/m0/s1
InChIKeyAEDZZOCVOSXMPQ-JTQLQIEISA-N
MW215.22 g/mol
LogP2.52
Rot. Bonds

About (2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 131605067) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is (2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID131605067
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name(2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESN[C@H]1CCc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C11H12F3N/c12-11(13,14)9-3-1-7-2-4-10(15)6-8(7)5-9/h1,3,5,10H,2,4,6,15H2/t10-/m0/s1
InChIKeyAEDZZOCVOSXMPQ-JTQLQIEISA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-6-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine
CID 118694620
[5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-yl]methanamine
CID 115029003
(2S)-7-bromo-1,2,3,4-tetrahydronaphthalen-2-amine
CID 86326564
(2S)-6-N-[5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalene-2,6-diamine
CID 118694773
(2R)-7-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130940477
2-methoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 163458109
1-[3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]piperidine
CID 19915673
N-ethyl-3-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
CID 14502067
benzene;1,2,3,4-tetrahydronaphthalen-2-amine
CID 66647094
1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride
CID 67686398
2-propan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 162490775
(1R)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 29415647

Frequently Asked Questions

What is the IUPAC name of (2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 131605067) is (2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is N[C@H]1CCc2ccc(C(F)(F)F)cc2C1.
What is the InChIKey of (2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is AEDZZOCVOSXMPQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12F3N/c12-11(13,14)9-3-1-7-2-4-10(15)6-8(7)5-9/h1,3,5,10H,2,4,6,15H2/t10-/m0/s1.
What are the key properties of (2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 215.22 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 131605067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).