methoxymethane;2-(trifluoromethyl)prop-2-enal

C6H9F3O2 — CID 145326277

IUPACmethoxymethane;2-(trifluoromethyl)prop-2-enal
SMILESC=C(C=O)C(F)(F)F.COC
InChIInChI=1S/C4H3F3O.C2H6O/c1-3(2-8)4(5,6)7;1-3-2/h2H,1H2;1-2H3
InChIKeyXGMAURUUVRROKR-UHFFFAOYSA-N
MW170.13 g/mol
LogP1.57
Rot. Bonds1

About methoxymethane;2-(trifluoromethyl)prop-2-enal

methoxymethane;2-(trifluoromethyl)prop-2-enal (PubChem CID 145326277) has the molecular formula C6H9F3O2 and a molecular weight of 170.13 g/mol. Its IUPAC name is methoxymethane;2-(trifluoromethyl)prop-2-enal.

Molecular Properties

Compound Namemethoxymethane;2-(trifluoromethyl)prop-2-enal
PubChem CID145326277
Molecular FormulaC6H9F3O2
Molecular Weight170.13 g/mol
Exact Mass170.06
IUPAC Namemethoxymethane;2-(trifluoromethyl)prop-2-enal
SMILESC=C(C=O)C(F)(F)F.COC
InChIInChI=1S/C4H3F3O.C2H6O/c1-3(2-8)4(5,6)7;1-3-2/h2H,1H2;1-2H3
InChIKeyXGMAURUUVRROKR-UHFFFAOYSA-N
XLogP1.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-ethoxy-2-(trifluoromethyl)prop-2-enal
CID 87319043
3-Ethoxy-2-(trifluoromethyl)prop-2-enal
CID 91332125
CID 57367224
CID 57367224
Methoxymethane;2-methylprop-2-enal
CID 159944757

Frequently Asked Questions

What is the IUPAC name of methoxymethane;2-(trifluoromethyl)prop-2-enal?
The IUPAC name of methoxymethane;2-(trifluoromethyl)prop-2-enal (CID 145326277) is methoxymethane;2-(trifluoromethyl)prop-2-enal.
What is the SMILES notation for methoxymethane;2-(trifluoromethyl)prop-2-enal?
The canonical SMILES for methoxymethane;2-(trifluoromethyl)prop-2-enal is C=C(C=O)C(F)(F)F.COC.
What is the InChIKey of methoxymethane;2-(trifluoromethyl)prop-2-enal?
The InChIKey is XGMAURUUVRROKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3O.C2H6O/c1-3(2-8)4(5,6)7;1-3-2/h2H,1H2;1-2H3.
What are the key properties of methoxymethane;2-(trifluoromethyl)prop-2-enal?
methoxymethane;2-(trifluoromethyl)prop-2-enal has a molecular weight of 170.13 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;2-(trifluoromethyl)prop-2-enal is sourced from PubChem (CID 145326277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).