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

C12H22F3NO — CID 62703941

IUPAC[4-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
SMILESCC(C)C1CCC(CO)(NCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-9(2)10-3-5-11(8-17,6-4-10)16-7-12(13,14)15/h9-10,16-17H,3-8H2,1-2H3
InChIKeyAECHGCKYDPFIDE-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.72
Rot. Bonds4

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

[4-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol (PubChem CID 62703941) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is [4-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
PubChem CID62703941
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name[4-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
SMILESCC(C)C1CCC(CO)(NCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-9(2)10-3-5-11(8-17,6-4-10)16-7-12(13,14)15/h9-10,16-17H,3-8H2,1-2H3
InChIKeyAECHGCKYDPFIDE-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The IUPAC name of [4-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol (CID 62703941) is [4-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The canonical SMILES for [4-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol is CC(C)C1CCC(CO)(NCC(F)(F)F)CC1.
What is the InChIKey of [4-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The InChIKey is AECHGCKYDPFIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9(2)10-3-5-11(8-17,6-4-10)16-7-12(13,14)15/h9-10,16-17H,3-8H2,1-2H3.
What are the key properties of [4-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
[4-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol has a molecular weight of 253.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol is sourced from PubChem (CID 62703941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).