[3,3,5-trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol

C12H22F3NO — CID 61044737

IUPAC[3,3,5-trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
SMILESCC1CC(C)(C)CC(CO)(NCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-9-4-10(2,3)6-11(5-9,8-17)16-7-12(13,14)15/h9,16-17H,4-8H2,1-3H3
InChIKeyMNOLFSBCGDXZCE-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.72
Rot. Bonds3

About [3,3,5-trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol

[3,3,5-trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol (PubChem CID 61044737) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is [3,3,5-trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3,3,5-trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
PubChem CID61044737
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name[3,3,5-trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
SMILESCC1CC(C)(C)CC(CO)(NCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-9-4-10(2,3)6-11(5-9,8-17)16-7-12(13,14)15/h9,16-17H,4-8H2,1-3H3
InChIKeyMNOLFSBCGDXZCE-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3,3,5-trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The IUPAC name of [3,3,5-trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol (CID 61044737) is [3,3,5-trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol.
What is the SMILES notation for [3,3,5-trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The canonical SMILES for [3,3,5-trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol is CC1CC(C)(C)CC(CO)(NCC(F)(F)F)C1.
What is the InChIKey of [3,3,5-trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The InChIKey is MNOLFSBCGDXZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9-4-10(2,3)6-11(5-9,8-17)16-7-12(13,14)15/h9,16-17H,4-8H2,1-3H3.
What are the key properties of [3,3,5-trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
[3,3,5-trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol has a molecular weight of 253.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3,5-trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol is sourced from PubChem (CID 61044737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).