N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)-2,2-difluoroethanamine

C14H28ClF2NO3 — CID 107487933

IUPACN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)-2,2-difluoroethanamine
SMILESCCCCOCCOCCOCCN(CCCl)CC(F)F
InChIInChI=1S/C14H28ClF2NO3/c1-2-3-7-19-9-11-21-12-10-20-8-6-18(5-4-15)13-14(16)17/h14H,2-13H2,1H3
InChIKeyUSPMKPMGFMEJGJ-UHFFFAOYSA-N
MW331.83 g/mol
LogP2.64
Rot. Bonds16

About N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)-2,2-difluoroethanamine

N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)-2,2-difluoroethanamine (PubChem CID 107487933) has the molecular formula C14H28ClF2NO3 and a molecular weight of 331.83 g/mol. Its IUPAC name is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)-2,2-difluoroethanamine
PubChem CID107487933
Molecular FormulaC14H28ClF2NO3
Molecular Weight331.83 g/mol
Exact Mass331.17
IUPAC NameN-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)-2,2-difluoroethanamine
SMILESCCCCOCCOCCOCCN(CCCl)CC(F)F
InChIInChI=1S/C14H28ClF2NO3/c1-2-3-7-19-9-11-21-12-10-20-8-6-18(5-4-15)13-14(16)17/h14H,2-13H2,1H3
InChIKeyUSPMKPMGFMEJGJ-UHFFFAOYSA-N
XLogP2.64
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]ethanamine
CID 107487831
N-(2-chloroethyl)-N-[2-(3-methylbutoxy)ethyl]butan-1-amine
CID 63389719
N-(2-chloroethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]butan-1-amine
CID 113427470
N-(2-chloroethyl)-N-[3-(2-methoxyethoxy)propyl]butan-1-amine
CID 103412998
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-fluoropropan-1-amine
CID 107488033
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-ethylsulfonylpropan-1-amine
CID 107488098
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine
CID 104567115
N-(2-chloroethyl)-2,2-difluoro-N-(2-methylsulfanylethyl)ethanamine
CID 107487839
N-[2-(2-chloroethoxy)ethyl]-N-ethylbutan-1-amine
CID 63666275
hypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine
CID 88657815
1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
CID 107483861
2-[2,2-difluoroethyl-[2-(3-methylbutoxy)ethyl]amino]ethanol
CID 107484971

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)-2,2-difluoroethanamine?
The IUPAC name of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)-2,2-difluoroethanamine (CID 107487933) is N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)-2,2-difluoroethanamine.
What is the SMILES notation for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)-2,2-difluoroethanamine?
The canonical SMILES for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)-2,2-difluoroethanamine is CCCCOCCOCCOCCN(CCCl)CC(F)F.
What is the InChIKey of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)-2,2-difluoroethanamine?
The InChIKey is USPMKPMGFMEJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28ClF2NO3/c1-2-3-7-19-9-11-21-12-10-20-8-6-18(5-4-15)13-14(16)17/h14H,2-13H2,1H3.
What are the key properties of N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)-2,2-difluoroethanamine?
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)-2,2-difluoroethanamine has a molecular weight of 331.83 g/mol, XLogP of 2.64, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)-2,2-difluoroethanamine is sourced from PubChem (CID 107487933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).