2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine

C14H14F9NO2 — CID 138968689

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESFC(F)(F)c1ccc(CNCCOCOC(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C14H14F9NO2/c15-12(16,17)10-3-1-9(2-4-10)7-24-5-6-25-8-26-11(13(18,19)20)14(21,22)23/h1-4,11,24H,5-8H2
InChIKeyBCOSWBFOMNMDTG-UHFFFAOYSA-N
MW399.25 g/mol
LogP4.28
Rot. Bonds8

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 138968689) has the molecular formula C14H14F9NO2 and a molecular weight of 399.25 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID138968689
Molecular FormulaC14H14F9NO2
Molecular Weight399.25 g/mol
Exact Mass399.09
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESFC(F)(F)c1ccc(CNCCOCOC(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C14H14F9NO2/c15-12(16,17)10-3-1-9(2-4-10)7-24-5-6-25-8-26-11(13(18,19)20)14(21,22)23/h1-4,11,24H,5-8H2
InChIKeyBCOSWBFOMNMDTG-UHFFFAOYSA-N
XLogP4.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine with MolForge

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Related Compounds

(Benzylamino)acetaldehyde diethyl acetal
CID 521961
3-(Benzylamino)-1,1,1-trifluoropropan-2-ol
CID 3787794
2,2-diethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 71521606
N-Benzyl-2,2-dimethoxyethan-1-amine
CID 276572
(S)-3-Benzylamino-1,1,1-trifluoro-propan-2-ol
CID 1477380
2-({[4-(Trifluoromethyl)phenyl]methyl}amino)ethan-1-ol
CID 11790679
Benzyl-(2,2-dimethoxy-1-methyl-ethyl)-amine
CID 12293011
1-(Benzylamino)-4,4,4-trifluorobutan-2-ol
CID 42614690
(R)-N-Benzyl-1-[(R)-oxiranyl]-2,2,2-trifluoroethanamine
CID 11287685
(Z)-1,3,3,3-tetrafluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine
CID 134920705
(Z)-N-benzyl-1,3,3,3-tetrafluoro-2-(methoxymethoxy)prop-1-en-1-amine
CID 134920915
N-benzyl-(1,3-dioxolan-4-yl)methylamine
CID 15331863

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (CID 138968689) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine is FC(F)(F)c1ccc(CNCCOCOC(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is BCOSWBFOMNMDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F9NO2/c15-12(16,17)10-3-1-9(2-4-10)7-24-5-6-25-8-26-11(13(18,19)20)14(21,22)23/h1-4,11,24H,5-8H2.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 399.25 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 138968689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).