1,1-dichloro-2,2,3-trifluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)cyclopropane

C5Cl5F5O — CID 59509990

IUPAC1,1-dichloro-2,2,3-trifluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)cyclopropane
SMILESFC(Cl)(Cl)C(F)(Cl)OC1(F)C(F)(F)C1(Cl)Cl
InChIInChI=1S/C5Cl5F5O/c6-1(7)2(11,12)3(1,13)16-5(10,15)4(8,9)14
InChIKeyYDZFNUIHCGXIAG-UHFFFAOYSA-N
MW348.31 g/mol
LogP4.45
Rot. Bonds3

About 1,1-dichloro-2,2,3-trifluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)cyclopropane

1,1-dichloro-2,2,3-trifluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)cyclopropane (PubChem CID 59509990) has the molecular formula C5Cl5F5O and a molecular weight of 348.31 g/mol. Its IUPAC name is 1,1-dichloro-2,2,3-trifluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)cyclopropane.

Molecular Properties

Compound Name1,1-dichloro-2,2,3-trifluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)cyclopropane
PubChem CID59509990
Molecular FormulaC5Cl5F5O
Molecular Weight348.31 g/mol
Exact Mass345.83
IUPAC Name1,1-dichloro-2,2,3-trifluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)cyclopropane
SMILESFC(Cl)(Cl)C(F)(Cl)OC1(F)C(F)(F)C1(Cl)Cl
InChIInChI=1S/C5Cl5F5O/c6-1(7)2(11,12)3(1,13)16-5(10,15)4(8,9)14
InChIKeyYDZFNUIHCGXIAG-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,1-dichloro-2,2,3,3,4-pentafluoro-4-methoxycyclobutane
CID 154145783
(2-chloro-1,2,3,3,4,4,5,5-octafluorocyclopentyl) trifluoromethanesulfonate
CID 12599137
1,1,2-trichloro-1,2-difluoro-2-(2,2,2-trichloroethoxy)ethane
CID 59509988
1,2,3-trichloro-1,1,2,3-tetrafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane
CID 59509974
1-chloro-1,2,2,3,3-pentafluorocyclopropane
CID 23233207
chloro(trifluoro)methane;ethane
CID 23131533
1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane
CID 22625247
dichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane
CID 87764597
CID 173165287
CID 173165287
1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 76970302
1-chloro-1,1,2,2,2-pentafluoroethane;ethane
CID 141108517
1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane
CID 139815776

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2,2,3-trifluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)cyclopropane?
The IUPAC name of 1,1-dichloro-2,2,3-trifluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)cyclopropane (CID 59509990) is 1,1-dichloro-2,2,3-trifluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)cyclopropane.
What is the SMILES notation for 1,1-dichloro-2,2,3-trifluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)cyclopropane?
The canonical SMILES for 1,1-dichloro-2,2,3-trifluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)cyclopropane is FC(Cl)(Cl)C(F)(Cl)OC1(F)C(F)(F)C1(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2,2,3-trifluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)cyclopropane?
The InChIKey is YDZFNUIHCGXIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl5F5O/c6-1(7)2(11,12)3(1,13)16-5(10,15)4(8,9)14.
What are the key properties of 1,1-dichloro-2,2,3-trifluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)cyclopropane?
1,1-dichloro-2,2,3-trifluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)cyclopropane has a molecular weight of 348.31 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2,2,3-trifluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)cyclopropane is sourced from PubChem (CID 59509990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).