[1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol

C12H22F3NO2 — CID 55082079

IUPAC[1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol
SMILESOCC1(NCCCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C12H22F3NO2/c13-12(14,15)10-18-8-4-7-16-11(9-17)5-2-1-3-6-11/h16-17H,1-10H2
InChIKeyDJMZULSMRDNKBP-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.24
Rot. Bonds7

About [1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol

[1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol (PubChem CID 55082079) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is [1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol
PubChem CID55082079
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name[1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol
SMILESOCC1(NCCCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C12H22F3NO2/c13-12(14,15)10-18-8-4-7-16-11(9-17)5-2-1-3-6-11/h16-17H,1-10H2
InChIKeyDJMZULSMRDNKBP-UHFFFAOYSA-N
XLogP2.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol?
The IUPAC name of [1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol (CID 55082079) is [1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol is OCC1(NCCCOCC(F)(F)F)CCCCC1.
What is the InChIKey of [1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol?
The InChIKey is DJMZULSMRDNKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c13-12(14,15)10-18-8-4-7-16-11(9-17)5-2-1-3-6-11/h16-17H,1-10H2.
What are the key properties of [1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol?
[1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol has a molecular weight of 269.31 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol is sourced from PubChem (CID 55082079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).