(Z)-2-[1-(1,1-difluoroethoxy)propan-2-yloxy]but-2-ene

C9H16F2O2 — CID 166905246

IUPAC(Z)-2-[1-(1,1-difluoroethoxy)propan-2-yloxy]but-2-ene
SMILESC/C=C(/C)OC(C)COC(C)(F)F
InChIInChI=1S/C9H16F2O2/c1-5-7(2)13-8(3)6-12-9(4,10)11/h5,8H,6H2,1-4H3/b7-5-
InChIKeyRVDFAAOGLPZREF-ALCCZGGFSA-N
MW194.22 g/mol
LogP2.94
Rot. Bonds5

About (Z)-2-[1-(1,1-difluoroethoxy)propan-2-yloxy]but-2-ene

(Z)-2-[1-(1,1-difluoroethoxy)propan-2-yloxy]but-2-ene (PubChem CID 166905246) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is (Z)-2-[1-(1,1-difluoroethoxy)propan-2-yloxy]but-2-ene.

Molecular Properties

Compound Name(Z)-2-[1-(1,1-difluoroethoxy)propan-2-yloxy]but-2-ene
PubChem CID166905246
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name(Z)-2-[1-(1,1-difluoroethoxy)propan-2-yloxy]but-2-ene
SMILESC/C=C(/C)OC(C)COC(C)(F)F
InChIInChI=1S/C9H16F2O2/c1-5-7(2)13-8(3)6-12-9(4,10)11/h5,8H,6H2,1-4H3/b7-5-
InChIKeyRVDFAAOGLPZREF-ALCCZGGFSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (Z)-2-[1-(1,1-difluoroethoxy)propan-2-yloxy]but-2-ene?
The IUPAC name of (Z)-2-[1-(1,1-difluoroethoxy)propan-2-yloxy]but-2-ene (CID 166905246) is (Z)-2-[1-(1,1-difluoroethoxy)propan-2-yloxy]but-2-ene.
What is the SMILES notation for (Z)-2-[1-(1,1-difluoroethoxy)propan-2-yloxy]but-2-ene?
The canonical SMILES for (Z)-2-[1-(1,1-difluoroethoxy)propan-2-yloxy]but-2-ene is C/C=C(/C)OC(C)COC(C)(F)F.
What is the InChIKey of (Z)-2-[1-(1,1-difluoroethoxy)propan-2-yloxy]but-2-ene?
The InChIKey is RVDFAAOGLPZREF-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H16F2O2/c1-5-7(2)13-8(3)6-12-9(4,10)11/h5,8H,6H2,1-4H3/b7-5-.
What are the key properties of (Z)-2-[1-(1,1-difluoroethoxy)propan-2-yloxy]but-2-ene?
(Z)-2-[1-(1,1-difluoroethoxy)propan-2-yloxy]but-2-ene has a molecular weight of 194.22 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[1-(1,1-difluoroethoxy)propan-2-yloxy]but-2-ene is sourced from PubChem (CID 166905246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).