N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine

C10H17ClF3NO — CID 107489139

IUPACN-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine
SMILESFC(F)(F)CN(CCCl)CCC1CCCO1
InChIInChI=1S/C10H17ClF3NO/c11-4-6-15(8-10(12,13)14)5-3-9-2-1-7-16-9/h9H,1-8H2
InChIKeyMYOWRNGFXODGGY-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.66
Rot. Bonds6

About N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine

N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine (PubChem CID 107489139) has the molecular formula C10H17ClF3NO and a molecular weight of 259.70 g/mol. Its IUPAC name is N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine
PubChem CID107489139
Molecular FormulaC10H17ClF3NO
Molecular Weight259.70 g/mol
Exact Mass259.10
IUPAC NameN-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine
SMILESFC(F)(F)CN(CCCl)CCC1CCCO1
InChIInChI=1S/C10H17ClF3NO/c11-4-6-15(8-10(12,13)14)5-3-9-2-1-7-16-9/h9H,1-8H2
InChIKeyMYOWRNGFXODGGY-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine
CID 107487790
N-(2-chloroethyl)-2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine
CID 107487796
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(oxolan-2-yl)propan-1-amine
CID 107487802
N-(2-chloroethyl)-2,2-difluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 107488072
N-(2-chloroethyl)-2,2-difluoro-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 107488113
N-(2-chloroethyl)-2,2,2-trifluoro-N-(oxan-2-ylmethyl)ethanamine
CID 107488728
N-(2-chloroethyl)-3-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 107488740
N-(2-chloroethyl)-2,2,2-trifluoro-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 107489199
N-(2-chloroethyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine
CID 65164950
N-(2-chloroethyl)-N-[2-(oxolan-2-yl)ethyl]propan-2-amine
CID 65165005
2-chloro-N-methyl-N-[2-(oxolan-2-yl)ethyl]propan-1-amine
CID 65165059
2-chloro-3-methoxy-N-methyl-N-[2-(oxolan-2-yl)ethyl]propan-1-amine
CID 65165223

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The IUPAC name of N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine (CID 107489139) is N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine.
What is the SMILES notation for N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The canonical SMILES for N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine is FC(F)(F)CN(CCCl)CCC1CCCO1.
What is the InChIKey of N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The InChIKey is MYOWRNGFXODGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO/c11-4-6-15(8-10(12,13)14)5-3-9-2-1-7-16-9/h9H,1-8H2.
What are the key properties of N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine?
N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine has a molecular weight of 259.70 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 107489139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).