2-fluoro-1-(1,1,3,3,3-pentafluoropropoxy)-1-(trifluoromethyl)cyclopropane

C7H5F9O — CID 20802283

IUPAC2-fluoro-1-(1,1,3,3,3-pentafluoropropoxy)-1-(trifluoromethyl)cyclopropane
SMILESFC1CC1(OC(F)(F)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F9O/c8-3-1-4(3,7(14,15)16)17-6(12,13)2-5(9,10)11/h3H,1-2H2
InChIKeyALIAOCGTQGDWMI-UHFFFAOYSA-N
MW276.10 g/mol
LogP3.59
Rot. Bonds3

About 2-fluoro-1-(1,1,3,3,3-pentafluoropropoxy)-1-(trifluoromethyl)cyclopropane

2-fluoro-1-(1,1,3,3,3-pentafluoropropoxy)-1-(trifluoromethyl)cyclopropane (PubChem CID 20802283) has the molecular formula C7H5F9O and a molecular weight of 276.10 g/mol. Its IUPAC name is 2-fluoro-1-(1,1,3,3,3-pentafluoropropoxy)-1-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Name2-fluoro-1-(1,1,3,3,3-pentafluoropropoxy)-1-(trifluoromethyl)cyclopropane
PubChem CID20802283
Molecular FormulaC7H5F9O
Molecular Weight276.10 g/mol
Exact Mass276.02
IUPAC Name2-fluoro-1-(1,1,3,3,3-pentafluoropropoxy)-1-(trifluoromethyl)cyclopropane
SMILESFC1CC1(OC(F)(F)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F9O/c8-3-1-4(3,7(14,15)16)17-6(12,13)2-5(9,10)11/h3H,1-2H2
InChIKeyALIAOCGTQGDWMI-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(1,1,3,3,3-pentafluoropropoxy)-1-(trifluoromethyl)cyclopropane?
The IUPAC name of 2-fluoro-1-(1,1,3,3,3-pentafluoropropoxy)-1-(trifluoromethyl)cyclopropane (CID 20802283) is 2-fluoro-1-(1,1,3,3,3-pentafluoropropoxy)-1-(trifluoromethyl)cyclopropane.
What is the SMILES notation for 2-fluoro-1-(1,1,3,3,3-pentafluoropropoxy)-1-(trifluoromethyl)cyclopropane?
The canonical SMILES for 2-fluoro-1-(1,1,3,3,3-pentafluoropropoxy)-1-(trifluoromethyl)cyclopropane is FC1CC1(OC(F)(F)CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-fluoro-1-(1,1,3,3,3-pentafluoropropoxy)-1-(trifluoromethyl)cyclopropane?
The InChIKey is ALIAOCGTQGDWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O/c8-3-1-4(3,7(14,15)16)17-6(12,13)2-5(9,10)11/h3H,1-2H2.
What are the key properties of 2-fluoro-1-(1,1,3,3,3-pentafluoropropoxy)-1-(trifluoromethyl)cyclopropane?
2-fluoro-1-(1,1,3,3,3-pentafluoropropoxy)-1-(trifluoromethyl)cyclopropane has a molecular weight of 276.10 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(1,1,3,3,3-pentafluoropropoxy)-1-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 20802283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).