trans-(1S,3S)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C8H14F3NO — CID 28819221

IUPACtrans-(1S,3S)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESN[C@H]1CCC[C@H](OCC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)5-13-7-3-1-2-6(12)4-7/h6-7H,1-5,12H2/t6-,7-/m0/s1
InChIKeyLQYFONUESJVHHK-BQBZGAKWSA-N
MW197.20 g/mol
LogP1.84
Rot. Bonds2

About trans-(1S,3S)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

trans-(1S,3S)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 28819221) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is trans-(1S,3S)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID28819221
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Nametrans-(1S,3S)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESN[C@H]1CCC[C@H](OCC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)5-13-7-3-1-2-6(12)4-7/h6-7H,1-5,12H2/t6-,7-/m0/s1
InChIKeyLQYFONUESJVHHK-BQBZGAKWSA-N
XLogP1.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of trans-(1S,3S)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 28819221) is trans-(1S,3S)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,3S)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for trans-(1S,3S)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is N[C@H]1CCC[C@H](OCC(F)(F)F)C1.
What is the InChIKey of trans-(1S,3S)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is LQYFONUESJVHHK-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)5-13-7-3-1-2-6(12)4-7/h6-7H,1-5,12H2/t6-,7-/m0/s1.
What are the key properties of trans-(1S,3S)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
trans-(1S,3S)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 28819221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).