(1S)-7-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C11H11F4N — CID 131365388

IUPAC(1S)-7-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@H]1CCCc2c1cc(F)cc2C(F)(F)F
InChIInChI=1S/C11H11F4N/c12-6-4-8-7(2-1-3-10(8)16)9(5-6)11(13,14)15/h4-5,10H,1-3,16H2/t10-/m0/s1
InChIKeyRGIIGMBKTBQFCG-JTQLQIEISA-N
MW233.21 g/mol
LogP3.18
Rot. Bonds

About (1S)-7-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-7-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 131365388) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is (1S)-7-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-7-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID131365388
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name(1S)-7-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@H]1CCCc2c1cc(F)cc2C(F)(F)F
InChIInChI=1S/C11H11F4N/c12-6-4-8-7(2-1-3-10(8)16)9(5-6)11(13,14)15/h4-5,10H,1-3,16H2/t10-/m0/s1
InChIKeyRGIIGMBKTBQFCG-JTQLQIEISA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-7-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-7-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 131365388) is (1S)-7-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-7-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-7-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is N[C@H]1CCCc2c1cc(F)cc2C(F)(F)F.
What is the InChIKey of (1S)-7-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is RGIIGMBKTBQFCG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11F4N/c12-6-4-8-7(2-1-3-10(8)16)9(5-6)11(13,14)15/h4-5,10H,1-3,16H2/t10-/m0/s1.
What are the key properties of (1S)-7-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-7-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 233.21 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 131365388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).