2,2,2-trifluoro-N-(2-phenylmethoxyethyl)-N-(2,2,2-trifluoroethyl)ethanamine

C13H15F6NO — CID 87162454

IUPAC2,2,2-trifluoro-N-(2-phenylmethoxyethyl)-N-(2,2,2-trifluoroethyl)ethanamine
SMILESFC(F)(F)CN(CCOCc1ccccc1)CC(F)(F)F
InChIInChI=1S/C13H15F6NO/c14-12(15,16)9-20(10-13(17,18)19)6-7-21-8-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyDEYGQBIASHPIMN-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.63
Rot. Bonds7

About 2,2,2-trifluoro-N-(2-phenylmethoxyethyl)-N-(2,2,2-trifluoroethyl)ethanamine

2,2,2-trifluoro-N-(2-phenylmethoxyethyl)-N-(2,2,2-trifluoroethyl)ethanamine (PubChem CID 87162454) has the molecular formula C13H15F6NO and a molecular weight of 315.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-phenylmethoxyethyl)-N-(2,2,2-trifluoroethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-phenylmethoxyethyl)-N-(2,2,2-trifluoroethyl)ethanamine
PubChem CID87162454
Molecular FormulaC13H15F6NO
Molecular Weight315.26 g/mol
Exact Mass315.11
IUPAC Name2,2,2-trifluoro-N-(2-phenylmethoxyethyl)-N-(2,2,2-trifluoroethyl)ethanamine
SMILESFC(F)(F)CN(CCOCc1ccccc1)CC(F)(F)F
InChIInChI=1S/C13H15F6NO/c14-12(15,16)9-20(10-13(17,18)19)6-7-21-8-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyDEYGQBIASHPIMN-UHFFFAOYSA-N
XLogP3.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
CID 14221122
2-(trifluoromethoxy)ethoxymethylbenzene
CID 154682514
N,2-dimethyl-N-(2-phenylmethoxyethyl)propan-2-amine
CID 23381577
N'-benzyl-N,N-diethyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine
CID 134112447
6-phenylmethoxy-N-propyl-N-(3,3,3-trifluoropropyl)hexan-1-amine
CID 163706257
ethane;phenylmethoxymethylbenzene
CID 90943549
(3-chloro-5,5,5-trifluoro-3-methylpentoxy)methylbenzene
CID 162621053
2-(trifluoromethylsulfanyloxy)ethoxymethylbenzene
CID 146493761
ethane;2-phenylmethoxyethanamine
CID 142016503
N-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine
CID 130537232
[(E)-7,7,7-trifluorohept-4-enoxy]methylbenzene
CID 162559957
(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol
CID 95356220

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-phenylmethoxyethyl)-N-(2,2,2-trifluoroethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(2-phenylmethoxyethyl)-N-(2,2,2-trifluoroethyl)ethanamine (CID 87162454) is 2,2,2-trifluoro-N-(2-phenylmethoxyethyl)-N-(2,2,2-trifluoroethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-phenylmethoxyethyl)-N-(2,2,2-trifluoroethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(2-phenylmethoxyethyl)-N-(2,2,2-trifluoroethyl)ethanamine is FC(F)(F)CN(CCOCc1ccccc1)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-phenylmethoxyethyl)-N-(2,2,2-trifluoroethyl)ethanamine?
The InChIKey is DEYGQBIASHPIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F6NO/c14-12(15,16)9-20(10-13(17,18)19)6-7-21-8-11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of 2,2,2-trifluoro-N-(2-phenylmethoxyethyl)-N-(2,2,2-trifluoroethyl)ethanamine?
2,2,2-trifluoro-N-(2-phenylmethoxyethyl)-N-(2,2,2-trifluoroethyl)ethanamine has a molecular weight of 315.26 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-phenylmethoxyethyl)-N-(2,2,2-trifluoroethyl)ethanamine is sourced from PubChem (CID 87162454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).