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

C14H26F3NO — CID 61046754

IUPAC[4-(2-methylbutan-2-yl)-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
SMILESCCC(C)(C)C1CCC(CO)(NCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-4-12(2,3)11-5-7-13(10-19,8-6-11)18-9-14(15,16)17/h11,18-19H,4-10H2,1-3H3
InChIKeyYCWBPSVSEFXPOP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.50
Rot. Bonds5

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

[4-(2-methylbutan-2-yl)-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol (PubChem CID 61046754) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
PubChem CID61046754
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name[4-(2-methylbutan-2-yl)-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
SMILESCCC(C)(C)C1CCC(CO)(NCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-4-12(2,3)11-5-7-13(10-19,8-6-11)18-9-14(15,16)17/h11,18-19H,4-10H2,1-3H3
InChIKeyYCWBPSVSEFXPOP-UHFFFAOYSA-N
XLogP3.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-(2-methylbutan-2-yl)-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol with MolForge

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Related Compounds

(2R)-2-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol
CID 96415684
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
[4-Propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045105
[4-Methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045108
[4-Tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045651
[2-Methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61046016
[2-Tert-butyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61046194
[3-Methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61046195
2-Cyclohexyl-2-(2,2,2-trifluoroethylamino)ethanol
CID 61046571
[4-Ethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61047317

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The IUPAC name of [4-(2-methylbutan-2-yl)-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol (CID 61046754) is [4-(2-methylbutan-2-yl)-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-(2-methylbutan-2-yl)-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The canonical SMILES for [4-(2-methylbutan-2-yl)-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol is CCC(C)(C)C1CCC(CO)(NCC(F)(F)F)CC1.
What is the InChIKey of [4-(2-methylbutan-2-yl)-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The InChIKey is YCWBPSVSEFXPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-4-12(2,3)11-5-7-13(10-19,8-6-11)18-9-14(15,16)17/h11,18-19H,4-10H2,1-3H3.
What are the key properties of [4-(2-methylbutan-2-yl)-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
[4-(2-methylbutan-2-yl)-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol has a molecular weight of 281.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol is sourced from PubChem (CID 61046754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).