2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine

C7H12F3NO — CID 103074893

IUPAC2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COC(C)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-5(3-11)4-12-6(2)7(8,9)10/h6H,1,3-4,11H2,2H3
InChIKeyJWXZCBBZYFQFDV-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.47
Rot. Bonds4

About 2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine

2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine (PubChem CID 103074893) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
PubChem CID103074893
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COC(C)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-5(3-11)4-12-6(2)7(8,9)10/h6H,1,3-4,11H2,2H3
InChIKeyJWXZCBBZYFQFDV-UHFFFAOYSA-N
XLogP1.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.47
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

(E)-3-fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine
CID 14724218
(Z)-2-isopropoxymethyl-3fluoroallylamine
CID 14724219
(E)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine
CID 19858177
(Z)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine
CID 52914478
2-(Ethoxymethyl)-3-fluoroprop-2-en-1-amine
CID 54519097
3-Fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine
CID 54520682
(E)-3-fluoro-2-(prop-1-en-2-yloxymethyl)prop-2-en-1-amine
CID 146492755
(E)-3-fluoro-2-(methoxymethyl)prop-2-en-1-amine
CID 146533122
(E)-3-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine
CID 156372718
(Z)-3-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine
CID 156372719
(E)-3-fluoro-2-[[(2S)-3-methylbut-3-en-2-yl]oxymethyl]prop-2-en-1-amine
CID 173853067
2-(2,2,2-Trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074347

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine (CID 103074893) is 2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine is C=C(CN)COC(C)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine?
The InChIKey is JWXZCBBZYFQFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-5(3-11)4-12-6(2)7(8,9)10/h6H,1,3-4,11H2,2H3.
What are the key properties of 2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine?
2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine has a molecular weight of 183.17 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).