2-methyl-1-(3,3,3-trifluoroprop-1-enoxy)propane

C7H11F3O — CID 85404833

IUPAC2-methyl-1-(3,3,3-trifluoroprop-1-enoxy)propane
SMILESCC(C)COC=CC(F)(F)F
InChIInChI=1S/C7H11F3O/c1-6(2)5-11-4-3-7(8,9)10/h3-4,6H,5H2,1-2H3
InChIKeyLDQKUIOSRBQXGN-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.73
Rot. Bonds3

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

2-methyl-1-(3,3,3-trifluoroprop-1-enoxy)propane (PubChem CID 85404833) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-methyl-1-(3,3,3-trifluoroprop-1-enoxy)propane.

Molecular Properties

Compound Name2-methyl-1-(3,3,3-trifluoroprop-1-enoxy)propane
PubChem CID85404833
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name2-methyl-1-(3,3,3-trifluoroprop-1-enoxy)propane
SMILESCC(C)COC=CC(F)(F)F
InChIInChI=1S/C7H11F3O/c1-6(2)5-11-4-3-7(8,9)10/h3-4,6H,5H2,1-2H3
InChIKeyLDQKUIOSRBQXGN-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.73
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
(E)-1-(2,2,2-trifluoroethoxy)prop-1-ene
CID 21721202
1-(2,2,2-Trifluoroethoxy)prop-1-ene
CID 73829637
1-Ethenoxy-1,1,2-trifluoro-2-methylpropane
CID 87205209
1-Ethoxy-3,3-difluoroprop-1-ene
CID 91236862
3,3-Difluoro-1-methoxyprop-1-ene
CID 91499712

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3,3,3-trifluoroprop-1-enoxy)propane?
The IUPAC name of 2-methyl-1-(3,3,3-trifluoroprop-1-enoxy)propane (CID 85404833) is 2-methyl-1-(3,3,3-trifluoroprop-1-enoxy)propane.
What is the SMILES notation for 2-methyl-1-(3,3,3-trifluoroprop-1-enoxy)propane?
The canonical SMILES for 2-methyl-1-(3,3,3-trifluoroprop-1-enoxy)propane is CC(C)COC=CC(F)(F)F.
What is the InChIKey of 2-methyl-1-(3,3,3-trifluoroprop-1-enoxy)propane?
The InChIKey is LDQKUIOSRBQXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c1-6(2)5-11-4-3-7(8,9)10/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-methyl-1-(3,3,3-trifluoroprop-1-enoxy)propane?
2-methyl-1-(3,3,3-trifluoroprop-1-enoxy)propane has a molecular weight of 168.16 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3,3,3-trifluoroprop-1-enoxy)propane is sourced from PubChem (CID 85404833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).