1-[(E)-3,3,3-trifluoroprop-1-enoxy]butane

C7H11F3O — CID 169089725

IUPAC1-[(E)-3,3,3-trifluoroprop-1-enoxy]butane
SMILESCCCCO/C=C/C(F)(F)F
InChIInChI=1S/C7H11F3O/c1-2-3-5-11-6-4-7(8,9)10/h4,6H,2-3,5H2,1H3/b6-4+
InChIKeyCWVODFDKMPPQCV-GQCTYLIASA-N
MW168.16 g/mol
LogP2.88
Rot. Bonds4

About 1-[(E)-3,3,3-trifluoroprop-1-enoxy]butane

1-[(E)-3,3,3-trifluoroprop-1-enoxy]butane (PubChem CID 169089725) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 1-[(E)-3,3,3-trifluoroprop-1-enoxy]butane.

Molecular Properties

Compound Name1-[(E)-3,3,3-trifluoroprop-1-enoxy]butane
PubChem CID169089725
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name1-[(E)-3,3,3-trifluoroprop-1-enoxy]butane
SMILESCCCCO/C=C/C(F)(F)F
InChIInChI=1S/C7H11F3O/c1-2-3-5-11-6-4-7(8,9)10/h4,6H,2-3,5H2,1H3/b6-4+
InChIKeyCWVODFDKMPPQCV-GQCTYLIASA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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'}, {'alert_name': 'Aliphatic_long_chain', '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-Ethenoxy-2,2,3,3-tetrafluorobutane
CID 23056322
1,1,3-Trifluoro-2-prop-1-enoxypropane
CID 57122574
1-(2,2,2-Trifluoroethoxy)prop-1-ene
CID 73829637
4-Ethenoxy-1,1,1-trifluorobutane
CID 82788398

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3,3-trifluoroprop-1-enoxy]butane?
The IUPAC name of 1-[(E)-3,3,3-trifluoroprop-1-enoxy]butane (CID 169089725) is 1-[(E)-3,3,3-trifluoroprop-1-enoxy]butane.
What is the SMILES notation for 1-[(E)-3,3,3-trifluoroprop-1-enoxy]butane?
The canonical SMILES for 1-[(E)-3,3,3-trifluoroprop-1-enoxy]butane is CCCCO/C=C/C(F)(F)F.
What is the InChIKey of 1-[(E)-3,3,3-trifluoroprop-1-enoxy]butane?
The InChIKey is CWVODFDKMPPQCV-GQCTYLIASA-N. The full InChI is InChI=1S/C7H11F3O/c1-2-3-5-11-6-4-7(8,9)10/h4,6H,2-3,5H2,1H3/b6-4+.
What are the key properties of 1-[(E)-3,3,3-trifluoroprop-1-enoxy]butane?
1-[(E)-3,3,3-trifluoroprop-1-enoxy]butane has a molecular weight of 168.16 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3,3-trifluoroprop-1-enoxy]butane is sourced from PubChem (CID 169089725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).