1-(2,2-difluoroethenyl)-1-[(2-methylpropan-2-yl)oxy]cyclopropane

C9H14F2O — CID 176805111

IUPAC1-(2,2-difluoroethenyl)-1-[(2-methylpropan-2-yl)oxy]cyclopropane
SMILESCC(C)(C)OC1(C=C(F)F)CC1
InChIInChI=1S/C9H14F2O/c1-8(2,3)12-9(4-5-9)6-7(10)11/h6H,4-5H2,1-3H3
InChIKeyPCXHWUSPJCUTJQ-UHFFFAOYSA-N
MW176.21 g/mol
LogP3.11
Rot. Bonds2

About 1-(2,2-difluoroethenyl)-1-[(2-methylpropan-2-yl)oxy]cyclopropane

1-(2,2-difluoroethenyl)-1-[(2-methylpropan-2-yl)oxy]cyclopropane (PubChem CID 176805111) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-(2,2-difluoroethenyl)-1-[(2-methylpropan-2-yl)oxy]cyclopropane.

Molecular Properties

Compound Name1-(2,2-difluoroethenyl)-1-[(2-methylpropan-2-yl)oxy]cyclopropane
PubChem CID176805111
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name1-(2,2-difluoroethenyl)-1-[(2-methylpropan-2-yl)oxy]cyclopropane
SMILESCC(C)(C)OC1(C=C(F)F)CC1
InChIInChI=1S/C9H14F2O/c1-8(2,3)12-9(4-5-9)6-7(10)11/h6H,4-5H2,1-3H3
InChIKeyPCXHWUSPJCUTJQ-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethenyl)-1-[(2-methylpropan-2-yl)oxy]cyclopropane?
The IUPAC name of 1-(2,2-difluoroethenyl)-1-[(2-methylpropan-2-yl)oxy]cyclopropane (CID 176805111) is 1-(2,2-difluoroethenyl)-1-[(2-methylpropan-2-yl)oxy]cyclopropane.
What is the SMILES notation for 1-(2,2-difluoroethenyl)-1-[(2-methylpropan-2-yl)oxy]cyclopropane?
The canonical SMILES for 1-(2,2-difluoroethenyl)-1-[(2-methylpropan-2-yl)oxy]cyclopropane is CC(C)(C)OC1(C=C(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethenyl)-1-[(2-methylpropan-2-yl)oxy]cyclopropane?
The InChIKey is PCXHWUSPJCUTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O/c1-8(2,3)12-9(4-5-9)6-7(10)11/h6H,4-5H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethenyl)-1-[(2-methylpropan-2-yl)oxy]cyclopropane?
1-(2,2-difluoroethenyl)-1-[(2-methylpropan-2-yl)oxy]cyclopropane has a molecular weight of 176.21 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethenyl)-1-[(2-methylpropan-2-yl)oxy]cyclopropane is sourced from PubChem (CID 176805111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).