1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)prop-2-en-1-one

C9H11F3O2 — CID 130565072

IUPAC1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)prop-2-en-1-one
SMILESC=C(C(=O)C1CCOC1C)C(F)(F)F
InChIInChI=1S/C9H11F3O2/c1-5(9(10,11)12)8(13)7-3-4-14-6(7)2/h6-7H,1,3-4H2,2H3
InChIKeyMFOYAYMXZZGPQV-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.10
Rot. Bonds2

About 1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)prop-2-en-1-one

1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)prop-2-en-1-one (PubChem CID 130565072) has the molecular formula C9H11F3O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)prop-2-en-1-one
PubChem CID130565072
Molecular FormulaC9H11F3O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)prop-2-en-1-one
SMILESC=C(C(=O)C1CCOC1C)C(F)(F)F
InChIInChI=1S/C9H11F3O2/c1-5(9(10,11)12)8(13)7-3-4-14-6(7)2/h6-7H,1,3-4H2,2H3
InChIKeyMFOYAYMXZZGPQV-UHFFFAOYSA-N
XLogP2.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-1-[2-(trifluoromethyl)oxetan-3-yl]but-3-ene-1,2-dione
CID 70498242
1-(Oxolan-3-yl)-2-(trifluoromethyl)prop-2-en-1-one
CID 130564726
1-(Oxan-4-yl)-2-(trifluoromethyl)prop-2-en-1-one
CID 130564727
2-Methyl-1-(oxolan-3-yl)prop-2-en-1-one
CID 79190486
1-(2-Ethyloxolan-3-yl)prop-2-en-1-one
CID 105743609
1-(2-Ethyloxolan-3-yl)-2-methylprop-2-en-1-one
CID 105743620
2-Methyl-1-(5-methyloxolan-3-yl)prop-2-en-1-one
CID 115780901
2-Methyl-1-(2-methyloxolan-3-yl)prop-2-en-1-one
CID 115781019

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)prop-2-en-1-one?
The IUPAC name of 1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)prop-2-en-1-one (CID 130565072) is 1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)prop-2-en-1-one?
The canonical SMILES for 1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)prop-2-en-1-one is C=C(C(=O)C1CCOC1C)C(F)(F)F.
What is the InChIKey of 1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)prop-2-en-1-one?
The InChIKey is MFOYAYMXZZGPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O2/c1-5(9(10,11)12)8(13)7-3-4-14-6(7)2/h6-7H,1,3-4H2,2H3.
What are the key properties of 1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)prop-2-en-1-one?
1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)prop-2-en-1-one has a molecular weight of 208.18 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-3-yl)-2-(trifluoromethyl)prop-2-en-1-one is sourced from PubChem (CID 130565072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).