1,2-dichloro-3-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3-pentafluoropropane

C5Cl3F9O — CID 102345712

IUPAC1,2-dichloro-3-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3-pentafluoropropane
SMILESFC(F)(Cl)C(F)(F)OC(F)(F)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C5Cl3F9O/c6-1(9,2(7,10)11)4(14,15)18-5(16,17)3(8,12)13
InChIKeyHGRKHGJMXJWNLF-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.76
Rot. Bonds5

About 1,2-dichloro-3-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3-pentafluoropropane

1,2-dichloro-3-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3-pentafluoropropane (PubChem CID 102345712) has the molecular formula C5Cl3F9O and a molecular weight of 353.40 g/mol. Its IUPAC name is 1,2-dichloro-3-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3-pentafluoropropane.

Molecular Properties

Compound Name1,2-dichloro-3-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3-pentafluoropropane
PubChem CID102345712
Molecular FormulaC5Cl3F9O
Molecular Weight353.40 g/mol
Exact Mass351.89
IUPAC Name1,2-dichloro-3-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3-pentafluoropropane
SMILESFC(F)(Cl)C(F)(F)OC(F)(F)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C5Cl3F9O/c6-1(9,2(7,10)11)4(14,15)18-5(16,17)3(8,12)13
InChIKeyHGRKHGJMXJWNLF-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane
CID 11463803
(2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane
CID 98047490
2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid
CID 15570709
1,2,3-trichloro-1,1,2,3-tetrafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane
CID 59509974
1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane
CID 12829603
1,1-dichloro-4-(4,4-dichloro-1,1,2,2,3,3,4-heptafluorobutoxy)-1,2,2,3,3,4,4-heptafluorobutane
CID 22001044
1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane
CID 22625247
1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 6429
(2-chloro-1,1,2,2-tetrafluoroethyl) hypochlorite;1,1-dichloro-1,2,2,2-tetrafluoroethane
CID 158421583
3-chloro-1,1,1,2,3,4,4-heptafluoro-2-iodo-4-(trifluoromethoxy)butane
CID 19917287
(12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosanoyl) 12,13,14,15,16,17,18,19,20,21,22-undecachloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,15,16,17,18,19,20,21,22,22-dotriacontafluorodocosaneperoxoate
CID 23112152
1-[1-[1-(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoropropan-2-olate
CID 163408241

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3-pentafluoropropane?
The IUPAC name of 1,2-dichloro-3-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3-pentafluoropropane (CID 102345712) is 1,2-dichloro-3-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3-pentafluoropropane.
What is the SMILES notation for 1,2-dichloro-3-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3-pentafluoropropane?
The canonical SMILES for 1,2-dichloro-3-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3-pentafluoropropane is FC(F)(Cl)C(F)(F)OC(F)(F)C(F)(Cl)C(F)(F)Cl.
What is the InChIKey of 1,2-dichloro-3-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3-pentafluoropropane?
The InChIKey is HGRKHGJMXJWNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl3F9O/c6-1(9,2(7,10)11)4(14,15)18-5(16,17)3(8,12)13.
What are the key properties of 1,2-dichloro-3-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3-pentafluoropropane?
1,2-dichloro-3-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3-pentafluoropropane has a molecular weight of 353.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,3,3-pentafluoropropane is sourced from PubChem (CID 102345712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).