(2S)-1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-amine

C12H14F4N2 — CID 18735309

IUPAC(2S)-1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-amine
SMILESC[C@H](N)CN1CCc2cc(F)c(C(F)(F)F)cc21
InChIInChI=1S/C12H14F4N2/c1-7(17)6-18-3-2-8-4-10(13)9(5-11(8)18)12(14,15)16/h4-5,7H,2-3,6,17H2,1H3/t7-/m0/s1
InChIKeyHMGZRIYJGAGANE-ZETCQYMHSA-N
MW262.25 g/mol
LogP2.55
Rot. Bonds2

About (2S)-1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-amine

(2S)-1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-amine (PubChem CID 18735309) has the molecular formula C12H14F4N2 and a molecular weight of 262.25 g/mol. Its IUPAC name is (2S)-1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-amine
PubChem CID18735309
Molecular FormulaC12H14F4N2
Molecular Weight262.25 g/mol
Exact Mass262.11
IUPAC Name(2S)-1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-amine
SMILESC[C@H](N)CN1CCc2cc(F)c(C(F)(F)F)cc21
InChIInChI=1S/C12H14F4N2/c1-7(17)6-18-3-2-8-4-10(13)9(5-11(8)18)12(14,15)16/h4-5,7H,2-3,6,17H2,1H3/t7-/m0/s1
InChIKeyHMGZRIYJGAGANE-ZETCQYMHSA-N
XLogP2.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-amine?
The IUPAC name of (2S)-1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-amine (CID 18735309) is (2S)-1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-amine.
What is the SMILES notation for (2S)-1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-amine?
The canonical SMILES for (2S)-1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-amine is C[C@H](N)CN1CCc2cc(F)c(C(F)(F)F)cc21.
What is the InChIKey of (2S)-1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-amine?
The InChIKey is HMGZRIYJGAGANE-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H14F4N2/c1-7(17)6-18-3-2-8-4-10(13)9(5-11(8)18)12(14,15)16/h4-5,7H,2-3,6,17H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-amine?
(2S)-1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-amine has a molecular weight of 262.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-fluoro-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]propan-2-amine is sourced from PubChem (CID 18735309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).