3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoyl chloride

C6H4ClF7O2 — CID 139724214

IUPAC3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoyl chloride
SMILESO=C(Cl)CCOC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4ClF7O2/c7-3(15)1-2-16-4(8,5(9,10)11)6(12,13)14/h1-2H2
InChIKeyCACZCNAFRMNGRJ-UHFFFAOYSA-N
MW276.54 g/mol
LogP2.95
Rot. Bonds4

About 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoyl chloride

3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoyl chloride (PubChem CID 139724214) has the molecular formula C6H4ClF7O2 and a molecular weight of 276.54 g/mol. Its IUPAC name is 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoyl chloride.

Molecular Properties

Compound Name3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoyl chloride
PubChem CID139724214
Molecular FormulaC6H4ClF7O2
Molecular Weight276.54 g/mol
Exact Mass275.98
IUPAC Name3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoyl chloride
SMILESO=C(Cl)CCOC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H4ClF7O2/c7-3(15)1-2-16-4(8,5(9,10)11)6(12,13)14/h1-2H2
InChIKeyCACZCNAFRMNGRJ-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.54
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-Difluoro-3-[(2-methylpropan-2-yl)oxy]propanoyl chloride
CID 13765767
3-(2,2,2-Trifluoroethoxy)propanoyl chloride
CID 104701952
CF3CH2OCF2CF2COCl
CID 131719394
2,2-Difluoro-3-methoxypropanoyl chloride
CID 140239356
3-(Trifluoromethoxy)propanoyl chloride
CID 172214209
3-(2,2-Difluoroethoxy)propanoyl chloride
CID 103208649

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoyl chloride?
The IUPAC name of 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoyl chloride (CID 139724214) is 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoyl chloride.
What is the SMILES notation for 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoyl chloride?
The canonical SMILES for 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoyl chloride is O=C(Cl)CCOC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoyl chloride?
The InChIKey is CACZCNAFRMNGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF7O2/c7-3(15)1-2-16-4(8,5(9,10)11)6(12,13)14/h1-2H2.
What are the key properties of 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoyl chloride?
3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoyl chloride has a molecular weight of 276.54 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanoyl chloride is sourced from PubChem (CID 139724214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).