1-(2-chloro-1,1,3,3-tetrafluoroprop-2-enoxy)-1,1,2,2,3,3,3-heptafluoropropane

C6ClF11O — CID 20525335

IUPAC1-(2-chloro-1,1,3,3-tetrafluoroprop-2-enoxy)-1,1,2,2,3,3,3-heptafluoropropane
SMILESFC(F)=C(Cl)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6ClF11O/c7-1(2(8)9)3(10,11)19-6(17,18)4(12,13)5(14,15)16
InChIKeyHEHNRQFXXWUYEG-UHFFFAOYSA-N
MW332.50 g/mol
LogP4.73
Rot. Bonds4

About 1-(2-chloro-1,1,3,3-tetrafluoroprop-2-enoxy)-1,1,2,2,3,3,3-heptafluoropropane

1-(2-chloro-1,1,3,3-tetrafluoroprop-2-enoxy)-1,1,2,2,3,3,3-heptafluoropropane (PubChem CID 20525335) has the molecular formula C6ClF11O and a molecular weight of 332.50 g/mol. Its IUPAC name is 1-(2-chloro-1,1,3,3-tetrafluoroprop-2-enoxy)-1,1,2,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name1-(2-chloro-1,1,3,3-tetrafluoroprop-2-enoxy)-1,1,2,2,3,3,3-heptafluoropropane
PubChem CID20525335
Molecular FormulaC6ClF11O
Molecular Weight332.50 g/mol
Exact Mass331.95
IUPAC Name1-(2-chloro-1,1,3,3-tetrafluoroprop-2-enoxy)-1,1,2,2,3,3,3-heptafluoropropane
SMILESFC(F)=C(Cl)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6ClF11O/c7-1(2(8)9)3(10,11)19-6(17,18)4(12,13)5(14,15)16
InChIKeyHEHNRQFXXWUYEG-UHFFFAOYSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane
CID 86252912
1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane
CID 175694142
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-bis(1,1,2,3,3-pentafluoroprop-2-enoxy)hexane
CID 20507002
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10968705
sodium 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]ethoxy]acetate
CID 175696447
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane
CID 160879773
2,2-difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]acetyl fluoride;1,1,1,2,3,3-hexafluoro-3-(1-fluoroethenoxy)-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane
CID 160862772
3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride
CID 11659940
2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propanoyl fluoride
CID 121435395
1,1,2,2,3,3-hexafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)ethoxy]-3-(trifluoromethoxy)propane
CID 175703673
1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropylperoxy)propan-2-yl]oxypropan-2-yl]oxy-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propane
CID 58890193
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-10-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecoxy)decane
CID 18625066

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1,1,3,3-tetrafluoroprop-2-enoxy)-1,1,2,2,3,3,3-heptafluoropropane?
The IUPAC name of 1-(2-chloro-1,1,3,3-tetrafluoroprop-2-enoxy)-1,1,2,2,3,3,3-heptafluoropropane (CID 20525335) is 1-(2-chloro-1,1,3,3-tetrafluoroprop-2-enoxy)-1,1,2,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 1-(2-chloro-1,1,3,3-tetrafluoroprop-2-enoxy)-1,1,2,2,3,3,3-heptafluoropropane?
The canonical SMILES for 1-(2-chloro-1,1,3,3-tetrafluoroprop-2-enoxy)-1,1,2,2,3,3,3-heptafluoropropane is FC(F)=C(Cl)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(2-chloro-1,1,3,3-tetrafluoroprop-2-enoxy)-1,1,2,2,3,3,3-heptafluoropropane?
The InChIKey is HEHNRQFXXWUYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6ClF11O/c7-1(2(8)9)3(10,11)19-6(17,18)4(12,13)5(14,15)16.
What are the key properties of 1-(2-chloro-1,1,3,3-tetrafluoroprop-2-enoxy)-1,1,2,2,3,3,3-heptafluoropropane?
1-(2-chloro-1,1,3,3-tetrafluoroprop-2-enoxy)-1,1,2,2,3,3,3-heptafluoropropane has a molecular weight of 332.50 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1,1,3,3-tetrafluoroprop-2-enoxy)-1,1,2,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 20525335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).