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

C8H14F3NO — CID 21252675

IUPAC1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol
SMILESNC1CCC(C(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
InChIKeySWOKARGLFKZVGD-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.43
Rot. Bonds1

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

1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol (PubChem CID 21252675) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol
PubChem CID21252675
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol
SMILESNC1CCC(C(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
InChIKeySWOKARGLFKZVGD-UHFFFAOYSA-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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Related Compounds

2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol
CID 64773776
2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol
CID 139741189
2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride
CID 66728457
(1S)-2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride
CID 70086662
[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]carbamic acid
CID 129247542
(1R)-1-(4-aminocyclohexyl)ethanol;hydrochloride
CID 129247786
1-cyclopropyl-2,2-difluoro-3,3-dimethylbutan-1-ol
CID 58044416
(2R)-2-(4-aminocyclohexyl)-2-hydroxyacetamide
CID 146667473
1-(4-aminocyclohexyl)propan-1-ol
CID 89389818
[(1S,3S)-3-aminocyclopentyl]methanediol
CID 156547371
cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 68531631
1-(4-aminocyclohexyl)-2-methylsulfonylethanol;2,2,2-trifluoroacetic acid
CID 138688262

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol (CID 21252675) is 1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol is NC1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol?
The InChIKey is SWOKARGLFKZVGD-UHFFFAOYSA-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.
What are the key properties of 1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol?
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 1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 21252675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).