2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-N-methylprop-2-en-1-amine

C8H11F6NO — CID 103075214

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO/c1-5(3-15-2)4-16-6(7(9,10)11)8(12,13)14/h6,15H,1,3-4H2,2H3
InChIKeyJRAWPPCRXXLLBW-UHFFFAOYSA-N
MW251.17 g/mol
LogP2.27
Rot. Bonds5

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-N-methylprop-2-en-1-amine

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-N-methylprop-2-en-1-amine (PubChem CID 103075214) has the molecular formula C8H11F6NO and a molecular weight of 251.17 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-N-methylprop-2-en-1-amine
PubChem CID103075214
Molecular FormulaC8H11F6NO
Molecular Weight251.17 g/mol
Exact Mass251.07
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO/c1-5(3-15-2)4-16-6(7(9,10)11)8(12,13)14/h6,15H,1,3-4H2,2H3
InChIKeyJRAWPPCRXXLLBW-UHFFFAOYSA-N
XLogP2.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074342
N-propyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074346
N-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074348
N-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074495
N-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074497
N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074498
N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074499
N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074501
N-ethyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074886
N-[2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074887
N-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074889
N-tert-butyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074890

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-N-methylprop-2-en-1-amine (CID 103075214) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-N-methylprop-2-en-1-amine is C=C(CNC)COC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-N-methylprop-2-en-1-amine?
The InChIKey is JRAWPPCRXXLLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO/c1-5(3-15-2)4-16-6(7(9,10)11)8(12,13)14/h6,15H,1,3-4H2,2H3.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-N-methylprop-2-en-1-amine?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-N-methylprop-2-en-1-amine has a molecular weight of 251.17 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103075214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).