N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine

C10H20F3NO2 — CID 62598152

IUPACN-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine
SMILESCCCCOCCOCCNCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-2-3-5-15-7-8-16-6-4-14-9-10(11,12)13/h14H,2-9H2,1H3
InChIKeyHGHUUJNIUFCSJD-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.97
Rot. Bonds10

About N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine

N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine (PubChem CID 62598152) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine
PubChem CID62598152
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC NameN-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine
SMILESCCCCOCCOCCNCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-2-3-5-15-7-8-16-6-4-14-9-10(11,12)13/h14H,2-9H2,1H3
InChIKeyHGHUUJNIUFCSJD-UHFFFAOYSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]-2,2-dimethylpropan-1-ol
CID 104562724
3-[(2-butoxyethylamino)methyl]pentan-3-ol
CID 65111219
2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine
CID 114505577
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine;ethane
CID 153390754
N-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63859852
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-chloroethoxy)propan-1-amine
CID 106306173
2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114442
N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine (CID 62598152) is N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine is CCCCOCCOCCNCC(F)(F)F.
What is the InChIKey of N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine?
The InChIKey is HGHUUJNIUFCSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-2-3-5-15-7-8-16-6-4-14-9-10(11,12)13/h14H,2-9H2,1H3.
What are the key properties of N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine?
N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine has a molecular weight of 243.27 g/mol, XLogP of 1.97, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62598152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).