N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine

C11H19ClF3NO — CID 107488799

IUPACN-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCC1(C)CCC(CN(CCCl)CC(F)(F)F)O1
InChIInChI=1S/C11H19ClF3NO/c1-10(2)4-3-9(17-10)7-16(6-5-12)8-11(13,14)15/h9H,3-8H2,1-2H3
InChIKeyAULQPBAOBGSVHV-UHFFFAOYSA-N
MW273.73 g/mol
LogP3.05
Rot. Bonds5

About N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine

N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 107488799) has the molecular formula C11H19ClF3NO and a molecular weight of 273.73 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID107488799
Molecular FormulaC11H19ClF3NO
Molecular Weight273.73 g/mol
Exact Mass273.11
IUPAC NameN-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCC1(C)CCC(CN(CCCl)CC(F)(F)F)O1
InChIInChI=1S/C11H19ClF3NO/c1-10(2)4-3-9(17-10)7-16(6-5-12)8-11(13,14)15/h9H,3-8H2,1-2H3
InChIKeyAULQPBAOBGSVHV-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine
CID 107487790
N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2-difluoroethanamine
CID 107487840
N-(2-chloroethyl)-2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 107487849
N-(2-chloroethyl)-2,2-difluoro-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 107488113
N-(2-chloroethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine
CID 107488716
N-(2-chloroethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 107488807
N-(2-chloroethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 107488810
N-(2-chloroethyl)-2,2,2-trifluoro-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 107489199
N-(2-chloroethyl)-2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 113965291
N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine
CID 102861197
N-(2-chloroethyl)-N-[(5-methyloxolan-2-yl)methyl]butan-1-amine
CID 103139726
2-chloro-N-methyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 103139732

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine (CID 107488799) is N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine is CC1(C)CCC(CN(CCCl)CC(F)(F)F)O1.
What is the InChIKey of N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is AULQPBAOBGSVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3NO/c1-10(2)4-3-9(17-10)7-16(6-5-12)8-11(13,14)15/h9H,3-8H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine?
N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 273.73 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 107488799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).