2-methyl-2-[(E)-3,3,3-trifluoroprop-1-enoxy]propane

C7H11F3O — CID 169089736

IUPAC2-methyl-2-[(E)-3,3,3-trifluoroprop-1-enoxy]propane
SMILESCC(C)(C)O/C=C/C(F)(F)F
InChIInChI=1S/C7H11F3O/c1-6(2,3)11-5-4-7(8,9)10/h4-5H,1-3H3/b5-4+
InChIKeyCWUZRTXGOHGGOR-SNAWJCMRSA-N
MW168.16 g/mol
LogP2.88
Rot. Bonds1

About 2-methyl-2-[(E)-3,3,3-trifluoroprop-1-enoxy]propane

2-methyl-2-[(E)-3,3,3-trifluoroprop-1-enoxy]propane (PubChem CID 169089736) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-methyl-2-[(E)-3,3,3-trifluoroprop-1-enoxy]propane.

Molecular Properties

Compound Name2-methyl-2-[(E)-3,3,3-trifluoroprop-1-enoxy]propane
PubChem CID169089736
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name2-methyl-2-[(E)-3,3,3-trifluoroprop-1-enoxy]propane
SMILESCC(C)(C)O/C=C/C(F)(F)F
InChIInChI=1S/C7H11F3O/c1-6(2,3)11-5-4-7(8,9)10/h4-5H,1-3H3/b5-4+
InChIKeyCWUZRTXGOHGGOR-SNAWJCMRSA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-Methoxy-3,3,3-trifluoroprop-1-ene
CID 11116063
1-Methoxy-3,3,3-trifluoropropene
CID 5709611
(1E)-1-Ethoxy-3,3,3-trifluoro-1-propene
CID 14386937
cis-1-Methoxy-3,3,3-trifluoropropene
CID 2782383
(1E)-1-Ethoxy-3,3,3-trifluoroprop-1-ene
CID 10960377
2-methyl-1-[(Z)-3,3,3-trifluoroprop-1-enoxy]propane
CID 11116446
(Z)-1-ethoxy-3,3,3-trifluoroprop-1-ene
CID 14386936
1,1,3-Trifluoro-2-prop-1-enoxypropane
CID 57122574
2-Ethenoxy-1,1,1-trifluoro-2-methylpropane
CID 57443668
2-Methyl-1-(3,3,3-trifluoroprop-1-enoxy)propane
CID 85404833
1-Ethoxy-3,3-difluoroprop-1-ene
CID 91236862
3,3,3-Trifluoro-1-propan-2-yloxyprop-1-ene
CID 140066401

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(E)-3,3,3-trifluoroprop-1-enoxy]propane?
The IUPAC name of 2-methyl-2-[(E)-3,3,3-trifluoroprop-1-enoxy]propane (CID 169089736) is 2-methyl-2-[(E)-3,3,3-trifluoroprop-1-enoxy]propane.
What is the SMILES notation for 2-methyl-2-[(E)-3,3,3-trifluoroprop-1-enoxy]propane?
The canonical SMILES for 2-methyl-2-[(E)-3,3,3-trifluoroprop-1-enoxy]propane is CC(C)(C)O/C=C/C(F)(F)F.
What is the InChIKey of 2-methyl-2-[(E)-3,3,3-trifluoroprop-1-enoxy]propane?
The InChIKey is CWUZRTXGOHGGOR-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H11F3O/c1-6(2,3)11-5-4-7(8,9)10/h4-5H,1-3H3/b5-4+.
What are the key properties of 2-methyl-2-[(E)-3,3,3-trifluoroprop-1-enoxy]propane?
2-methyl-2-[(E)-3,3,3-trifluoroprop-1-enoxy]propane has a molecular weight of 168.16 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-3,3,3-trifluoroprop-1-enoxy]propane is sourced from PubChem (CID 169089736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).