(E)-3,3,3-trifluoro-1-propan-2-yloxyprop-1-ene

C6H9F3O — CID 169089720

IUPAC(E)-3,3,3-trifluoro-1-propan-2-yloxyprop-1-ene
SMILESCC(C)O/C=C/C(F)(F)F
InChIInChI=1S/C6H9F3O/c1-5(2)10-4-3-6(7,8)9/h3-5H,1-2H3/b4-3+
InChIKeyUAMVNAWGNOHVDC-ONEGZZNKSA-N
MW154.13 g/mol
LogP2.49
Rot. Bonds2

About (E)-3,3,3-trifluoro-1-propan-2-yloxyprop-1-ene

(E)-3,3,3-trifluoro-1-propan-2-yloxyprop-1-ene (PubChem CID 169089720) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is (E)-3,3,3-trifluoro-1-propan-2-yloxyprop-1-ene.

Molecular Properties

Compound Name(E)-3,3,3-trifluoro-1-propan-2-yloxyprop-1-ene
PubChem CID169089720
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name(E)-3,3,3-trifluoro-1-propan-2-yloxyprop-1-ene
SMILESCC(C)O/C=C/C(F)(F)F
InChIInChI=1S/C6H9F3O/c1-5(2)10-4-3-6(7,8)9/h3-5H,1-2H3/b4-3+
InChIKeyUAMVNAWGNOHVDC-ONEGZZNKSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 52.49
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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Frequently Asked Questions

What is the IUPAC name of (E)-3,3,3-trifluoro-1-propan-2-yloxyprop-1-ene?
The IUPAC name of (E)-3,3,3-trifluoro-1-propan-2-yloxyprop-1-ene (CID 169089720) is (E)-3,3,3-trifluoro-1-propan-2-yloxyprop-1-ene.
What is the SMILES notation for (E)-3,3,3-trifluoro-1-propan-2-yloxyprop-1-ene?
The canonical SMILES for (E)-3,3,3-trifluoro-1-propan-2-yloxyprop-1-ene is CC(C)O/C=C/C(F)(F)F.
What is the InChIKey of (E)-3,3,3-trifluoro-1-propan-2-yloxyprop-1-ene?
The InChIKey is UAMVNAWGNOHVDC-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H9F3O/c1-5(2)10-4-3-6(7,8)9/h3-5H,1-2H3/b4-3+.
What are the key properties of (E)-3,3,3-trifluoro-1-propan-2-yloxyprop-1-ene?
(E)-3,3,3-trifluoro-1-propan-2-yloxyprop-1-ene has a molecular weight of 154.13 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3,3-trifluoro-1-propan-2-yloxyprop-1-ene is sourced from PubChem (CID 169089720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).