[3-methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol

C10H18F3NO — CID 61046195

IUPAC[3-methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-8-3-2-4-9(5-8,7-15)14-6-10(11,12)13/h8,14-15H,2-7H2,1H3
InChIKeyHPMLGPSRFHFFIG-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.08
Rot. Bonds3

About [3-methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol

[3-methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol (PubChem CID 61046195) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is [3-methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
PubChem CID61046195
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name[3-methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-8-3-2-4-9(5-8,7-15)14-6-10(11,12)13/h8,14-15H,2-7H2,1H3
InChIKeyHPMLGPSRFHFFIG-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.08
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
[1-[3-(2,2,2-Trifluoroethoxy)propylamino]cyclohexyl]methanol
CID 55082079
[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-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
[4-Propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045105
[4-Methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045108

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol (CID 61046195) is [3-methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol is CC1CCCC(CO)(NCC(F)(F)F)C1.
What is the InChIKey of [3-methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The InChIKey is HPMLGPSRFHFFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8-3-2-4-9(5-8,7-15)14-6-10(11,12)13/h8,14-15H,2-7H2,1H3.
What are the key properties of [3-methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
[3-methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol has a molecular weight of 225.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol is sourced from PubChem (CID 61046195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).