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

C9H16ClF2NO — CID 107487790

IUPACN-(2-chloroethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine
SMILESFC(F)CN(CCCl)CC1CCCO1
InChIInChI=1S/C9H16ClF2NO/c10-3-4-13(7-9(11)12)6-8-2-1-5-14-8/h8-9H,1-7H2
InChIKeyKNTXVCMOKGNEFD-UHFFFAOYSA-N
MW227.68 g/mol
LogP1.97
Rot. Bonds6

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

N-(2-chloroethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 107487790) has the molecular formula C9H16ClF2NO and a molecular weight of 227.68 g/mol. Its IUPAC name is N-(2-chloroethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID107487790
Molecular FormulaC9H16ClF2NO
Molecular Weight227.68 g/mol
Exact Mass227.09
IUPAC NameN-(2-chloroethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine
SMILESFC(F)CN(CCCl)CC1CCCO1
InChIInChI=1S/C9H16ClF2NO/c10-3-4-13(7-9(11)12)6-8-2-1-5-14-8/h8-9H,1-7H2
InChIKeyKNTXVCMOKGNEFD-UHFFFAOYSA-N
XLogP1.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.68
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine 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

Furfurylamine, tetrahydro-N,N-bis(2-chloroethyl)-
CID 45696
N-[difluoro(oxolan-2-yl)methyl]-N-ethylethanamine
CID 140159611
N-(2-chloroethyl)-2,2-difluoro-N-(oxan-2-ylmethyl)ethanamine
CID 107487796
N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2-difluoroethanamine
CID 107487840
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-(oxolan-2-ylmethyl)ethanamine
CID 107488716
N-(2-chloroethyl)-2,2,2-trifluoro-N-(oxan-2-ylmethyl)ethanamine
CID 107488728
N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 107488799
N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 107489139
N-(2-chloroethyl)-2,2,2-trifluoro-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 107489199
3-chloro-N-ethyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 55137393

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of N-(2-chloroethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine (CID 107487790) is N-(2-chloroethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(2-chloroethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for N-(2-chloroethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine is FC(F)CN(CCCl)CC1CCCO1.
What is the InChIKey of N-(2-chloroethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is KNTXVCMOKGNEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClF2NO/c10-3-4-13(7-9(11)12)6-8-2-1-5-14-8/h8-9H,1-7H2.
What are the key properties of N-(2-chloroethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine?
N-(2-chloroethyl)-2,2-difluoro-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 227.68 g/mol, XLogP of 1.97, 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-difluoro-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 107487790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).