(2R,3R,7S)-7-(trifluoromethyl)spiro[2.5]octan-2-amine

C9H14F3N — CID 124526779

IUPAC(2R,3R,7S)-7-(trifluoromethyl)spiro[2.5]octan-2-amine
SMILESN[C@@H]1C[C@]12CCC[C@H](C(F)(F)F)C2
InChIInChI=1S/C9H14F3N/c10-9(11,12)6-2-1-3-8(4-6)5-7(8)13/h6-7H,1-5,13H2/t6-,7+,8+/m0/s1
InChIKeyGNSFSQRUOKSVSP-XLPZGREQSA-N
MW193.21 g/mol
LogP2.46
Rot. Bonds

About (2R,3R,7S)-7-(trifluoromethyl)spiro[2.5]octan-2-amine

(2R,3R,7S)-7-(trifluoromethyl)spiro[2.5]octan-2-amine (PubChem CID 124526779) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is (2R,3R,7S)-7-(trifluoromethyl)spiro[2.5]octan-2-amine.

Molecular Properties

Compound Name(2R,3R,7S)-7-(trifluoromethyl)spiro[2.5]octan-2-amine
PubChem CID124526779
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name(2R,3R,7S)-7-(trifluoromethyl)spiro[2.5]octan-2-amine
SMILESN[C@@H]1C[C@]12CCC[C@H](C(F)(F)F)C2
InChIInChI=1S/C9H14F3N/c10-9(11,12)6-2-1-3-8(4-6)5-7(8)13/h6-7H,1-5,13H2/t6-,7+,8+/m0/s1
InChIKeyGNSFSQRUOKSVSP-XLPZGREQSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 95278571
1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride
CID 75481559
(2R)-spiro[2.3]hexan-2-amine
CID 124508890
spiro[2.3]hexan-2-amine
CID 55289803
5-propan-2-yl-10-(trifluoromethyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 79320266
(2S,4S)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine
CID 155904281
1-(2-methylpropyl)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-3-one
CID 66108537
(2R,4R)-2-(trifluoromethyl)-8-azaspiro[4.5]decan-4-amine;dihydrochloride
CID 172898053
10-(trifluoromethyl)spiro[5.5]undecan-3-one
CID 119088360
[1-(azocan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757802
2-(chloromethyl)-6-(trifluoromethyl)spiro[2.5]octane
CID 81358747
7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79507320

Frequently Asked Questions

What is the IUPAC name of (2R,3R,7S)-7-(trifluoromethyl)spiro[2.5]octan-2-amine?
The IUPAC name of (2R,3R,7S)-7-(trifluoromethyl)spiro[2.5]octan-2-amine (CID 124526779) is (2R,3R,7S)-7-(trifluoromethyl)spiro[2.5]octan-2-amine.
What is the SMILES notation for (2R,3R,7S)-7-(trifluoromethyl)spiro[2.5]octan-2-amine?
The canonical SMILES for (2R,3R,7S)-7-(trifluoromethyl)spiro[2.5]octan-2-amine is N[C@@H]1C[C@]12CCC[C@H](C(F)(F)F)C2.
What is the InChIKey of (2R,3R,7S)-7-(trifluoromethyl)spiro[2.5]octan-2-amine?
The InChIKey is GNSFSQRUOKSVSP-XLPZGREQSA-N. The full InChI is InChI=1S/C9H14F3N/c10-9(11,12)6-2-1-3-8(4-6)5-7(8)13/h6-7H,1-5,13H2/t6-,7+,8+/m0/s1.
What are the key properties of (2R,3R,7S)-7-(trifluoromethyl)spiro[2.5]octan-2-amine?
(2R,3R,7S)-7-(trifluoromethyl)spiro[2.5]octan-2-amine has a molecular weight of 193.21 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,7S)-7-(trifluoromethyl)spiro[2.5]octan-2-amine is sourced from PubChem (CID 124526779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).