(1S)-1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol

C8H14F3NO — CID 129247391

IUPAC(1S)-1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol
SMILESNC1CCC([C@H](O)C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)7(13)5-1-3-6(12)4-2-5/h5-7,13H,1-4,12H2/t5?,6?,7-/m0/s1
InChIKeySWOKARGLFKZVGD-AHXFUIDQSA-N
MW197.20 g/mol
LogP1.43
Rot. Bonds1

About (1S)-1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol

(1S)-1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol (PubChem CID 129247391) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is (1S)-1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1S)-1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol
PubChem CID129247391
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name(1S)-1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol
SMILESNC1CCC([C@H](O)C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)7(13)5-1-3-6(12)4-2-5/h5-7,13H,1-4,12H2/t5?,6?,7-/m0/s1
InChIKeySWOKARGLFKZVGD-AHXFUIDQSA-N
XLogP1.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol?
The IUPAC name of (1S)-1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol (CID 129247391) is (1S)-1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for (1S)-1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol?
The canonical SMILES for (1S)-1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol is NC1CCC([C@H](O)C(F)(F)F)CC1.
What is the InChIKey of (1S)-1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol?
The InChIKey is SWOKARGLFKZVGD-AHXFUIDQSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)7(13)5-1-3-6(12)4-2-5/h5-7,13H,1-4,12H2/t5?,6?,7-/m0/s1.
What are the key properties of (1S)-1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol?
(1S)-1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol has a molecular weight of 197.20 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 129247391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).