1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde

C12H20F3NO2 — CID 107486451

IUPAC1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESO=CC1(CN(CCO)CC(F)(F)F)CCCCC1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)9-16(6-7-17)8-11(10-18)4-2-1-3-5-11/h10,17H,1-9H2
InChIKeyNPIHJIUKBAAQKC-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.99
Rot. Bonds6

About 1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde

1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde (PubChem CID 107486451) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde
PubChem CID107486451
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESO=CC1(CN(CCO)CC(F)(F)F)CCCCC1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)9-16(6-7-17)8-11(10-18)4-2-1-3-5-11/h10,17H,1-9H2
InChIKeyNPIHJIUKBAAQKC-UHFFFAOYSA-N
XLogP1.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde (CID 107486451) is 1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde is O=CC1(CN(CCO)CC(F)(F)F)CCCCC1.
What is the InChIKey of 1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The InChIKey is NPIHJIUKBAAQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c13-12(14,15)9-16(6-7-17)8-11(10-18)4-2-1-3-5-11/h10,17H,1-9H2.
What are the key properties of 1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde?
1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde has a molecular weight of 267.29 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 107486451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).