[4-propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol

C12H22F3NO — CID 61045105

IUPAC[4-propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
SMILESCCCC1CCC(CO)(NCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-2-3-10-4-6-11(9-17,7-5-10)16-8-12(13,14)15/h10,16-17H,2-9H2,1H3
InChIKeyROJPQPWDBQGBNT-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.86
Rot. Bonds5

About [4-propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol

[4-propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol (PubChem CID 61045105) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is [4-propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
PubChem CID61045105
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name[4-propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
SMILESCCCC1CCC(CO)(NCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-2-3-10-4-6-11(9-17,7-5-10)16-8-12(13,14)15/h10,16-17H,2-9H2,1H3
InChIKeyROJPQPWDBQGBNT-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(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
[3-Methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol
CID 55086797
2-Cyclohexyl-2-((2,2,2-trifluoroethyl)amino)propan-1-ol
CID 56794360
[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-Ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 61044923
[4-Methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045108
[1-(2,2,2-Trifluoroethylamino)cycloheptyl]methanol
CID 61045109
2,5-Dimethyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 61045279
2-Methyl-2-(2,2,2-trifluoroethylamino)nonan-1-ol
CID 61045467

Frequently Asked Questions

What is the IUPAC name of [4-propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The IUPAC name of [4-propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol (CID 61045105) is [4-propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The canonical SMILES for [4-propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol is CCCC1CCC(CO)(NCC(F)(F)F)CC1.
What is the InChIKey of [4-propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The InChIKey is ROJPQPWDBQGBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-3-10-4-6-11(9-17,7-5-10)16-8-12(13,14)15/h10,16-17H,2-9H2,1H3.
What are the key properties of [4-propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
[4-propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol has a molecular weight of 253.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol is sourced from PubChem (CID 61045105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).