2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol

C11H20F3NO — CID 56794360

IUPAC2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESCC(CO)(NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H20F3NO/c1-10(8-16,15-7-11(12,13)14)9-5-3-2-4-6-9/h9,15-16H,2-8H2,1H3
InChIKeyGRSQSJYUSFJGHP-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds4

About 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol

2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol (PubChem CID 56794360) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol
PubChem CID56794360
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESCC(CO)(NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H20F3NO/c1-10(8-16,15-7-11(12,13)14)9-5-3-2-4-6-9/h9,15-16H,2-8H2,1H3
InChIKeyGRSQSJYUSFJGHP-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclohexyl-2-(2-methoxyethylamino)propan-1-ol
CID 64759521
(2R)-2-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol
CID 96415684
(5,5-Difluoro-6-propan-2-ylpiperidin-2-yl)methanol
CID 176992412
2-Cyclohexyl-2-(methylamino)ethanol
CID 278542
2-(Tert-butylamino)-1-cyclohexylethanol
CID 62772381
[1-[3-(2,2,2-Trifluoroethoxy)propylamino]cyclohexyl]methanol
CID 55082079
[3-Methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol
CID 55086797
[5-Methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61044735
[3,3,5-Trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61044737
[1-(2,2,2-Trifluoroethylamino)cyclohexyl]methanol
CID 61044738
2-Propyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61044740
2-Ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 61044923

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol?
The IUPAC name of 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol (CID 56794360) is 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol.
What is the SMILES notation for 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol?
The canonical SMILES for 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol is CC(CO)(NCC(F)(F)F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol?
The InChIKey is GRSQSJYUSFJGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-10(8-16,15-7-11(12,13)14)9-5-3-2-4-6-9/h9,15-16H,2-8H2,1H3.
What are the key properties of 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol?
2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2,2,2-trifluoroethylamino)propan-1-ol is sourced from PubChem (CID 56794360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).