1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropan-2-one

C6ClF11O2 — CID 23236340

IUPAC1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropan-2-one
SMILESO=C(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)Cl
InChIInChI=1S/C6ClF11O2/c7-5(14,15)4(13,6(16,17)18)20-3(11,12)1(19)2(8,9)10
InChIKeyWAJWYTPRFIJLNX-UHFFFAOYSA-N
MW348.50 g/mol
LogP3.79
Rot. Bonds4

About 1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropan-2-one

1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropan-2-one (PubChem CID 23236340) has the molecular formula C6ClF11O2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropan-2-one.

Molecular Properties

Compound Name1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropan-2-one
PubChem CID23236340
Molecular FormulaC6ClF11O2
Molecular Weight348.50 g/mol
Exact Mass347.94
IUPAC Name1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropan-2-one
SMILESO=C(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)Cl
InChIInChI=1S/C6ClF11O2/c7-5(14,15)4(13,6(16,17)18)20-3(11,12)1(19)2(8,9)10
InChIKeyWAJWYTPRFIJLNX-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid
CID 102331882
2-[1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid
CID 162396472
1,1-dichloro-1,3,3,3-tetrafluoropropan-2-one;dihydrate
CID 157182838
2-[2-[2-[chloro(difluoro)methyl]-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropoxy]-2,2-difluoroacetate
CID 102400219
1,1-dibromo-1-chloro-3,3,3-trifluoropropan-2-one
CID 10171803
prop-2-enyl 2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoro-2-oxopropoxy)propanoate
CID 88513511
tris(1,1,1,3,3,3-hexafluoropropan-2-one);iron
CID 159237842
cerium;1,1,1,3,3,3-hexafluoropropan-2-one
CID 90019366
2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-2,2-difluoroacetic acid
CID 15570709
[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]propyl] 2,2,3,3,3-pentafluoropropanoate
CID 131724887
methyl 3-[1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2,3,3-tetrafluoropropanoate
CID 10624985
1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide
CID 174432206

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropan-2-one?
The IUPAC name of 1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropan-2-one (CID 23236340) is 1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropan-2-one.
What is the SMILES notation for 1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropan-2-one?
The canonical SMILES for 1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropan-2-one is O=C(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)Cl.
What is the InChIKey of 1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropan-2-one?
The InChIKey is WAJWYTPRFIJLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6ClF11O2/c7-5(14,15)4(13,6(16,17)18)20-3(11,12)1(19)2(8,9)10.
What are the key properties of 1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropan-2-one?
1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropan-2-one has a molecular weight of 348.50 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,3,3,3-pentafluoropropan-2-one is sourced from PubChem (CID 23236340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).