4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol

C14H26F3NO — CID 62609553

IUPAC4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCN(CC1CC(C(C)(C)C)CCC1O)CC(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-13(2,3)11-5-6-12(19)10(7-11)8-18(4)9-14(15,16)17/h10-12,19H,5-9H2,1-4H3
InChIKeyPCNIIUNJJNCOME-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.30
Rot. Bonds3

About 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol

4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 62609553) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
PubChem CID62609553
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCN(CC1CC(C(C)(C)C)CCC1O)CC(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-13(2,3)11-5-6-12(19)10(7-11)8-18(4)9-14(15,16)17/h10-12,19H,5-9H2,1-4H3
InChIKeyPCNIIUNJJNCOME-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (CID 62609553) is 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is CN(CC1CC(C(C)(C)C)CCC1O)CC(F)(F)F.
What is the InChIKey of 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is PCNIIUNJJNCOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-13(2,3)11-5-6-12(19)10(7-11)8-18(4)9-14(15,16)17/h10-12,19H,5-9H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62609553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).