N-(2-chloroethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine

C9H15ClF3NO — CID 107488716

IUPACN-(2-chloroethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine
SMILESFC(F)(F)CN(CCCl)CC1CCCO1
InChIInChI=1S/C9H15ClF3NO/c10-3-4-14(7-9(11,12)13)6-8-2-1-5-15-8/h8H,1-7H2
InChIKeyDGDAAVZUBNEWRK-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.27
Rot. Bonds5

About N-(2-chloroethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine

N-(2-chloroethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 107488716) has the molecular formula C9H15ClF3NO and a molecular weight of 245.67 g/mol. Its IUPAC name is N-(2-chloroethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID107488716
Molecular FormulaC9H15ClF3NO
Molecular Weight245.67 g/mol
Exact Mass245.08
IUPAC NameN-(2-chloroethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine
SMILESFC(F)(F)CN(CCCl)CC1CCCO1
InChIInChI=1S/C9H15ClF3NO/c10-3-4-14(7-9(11,12)13)6-8-2-1-5-15-8/h8H,1-7H2
InChIKeyDGDAAVZUBNEWRK-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.27
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

Furfurylamine, tetrahydro-N,N-bis(2-chloroethyl)-
CID 45696
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-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 107488113
N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 107488799
N-(2-chloroethyl)-2,2,2-trifluoro-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 107489199
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61435409
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63387297
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)pentan-3-amine
CID 63387349
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63387634
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine
CID 63388013

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of N-(2-chloroethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine (CID 107488716) is N-(2-chloroethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(2-chloroethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for N-(2-chloroethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine is FC(F)(F)CN(CCCl)CC1CCCO1.
What is the InChIKey of N-(2-chloroethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is DGDAAVZUBNEWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NO/c10-3-4-14(7-9(11,12)13)6-8-2-1-5-15-8/h8H,1-7H2.
What are the key properties of N-(2-chloroethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine?
N-(2-chloroethyl)-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 245.67 g/mol, XLogP of 2.27, 5 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-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 107488716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).