4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride

C10H7ClF4O2 — CID 12644770

IUPAC4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride
SMILESO=C(Cl)c1ccc(OCC(F)(F)C(F)F)cc1
InChIInChI=1S/C10H7ClF4O2/c11-8(16)6-1-3-7(4-2-6)17-5-10(14,15)9(12)13/h1-4,9H,5H2
InChIKeyZCVIXLXOHJVUSH-UHFFFAOYSA-N
MW270.61 g/mol
LogP3.34
Rot. Bonds5

About 4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride

4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride (PubChem CID 12644770) has the molecular formula C10H7ClF4O2 and a molecular weight of 270.61 g/mol. Its IUPAC name is 4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride.

Molecular Properties

Compound Name4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride
PubChem CID12644770
Molecular FormulaC10H7ClF4O2
Molecular Weight270.61 g/mol
Exact Mass270.01
IUPAC Name4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride
SMILESO=C(Cl)c1ccc(OCC(F)(F)C(F)F)cc1
InChIInChI=1S/C10H7ClF4O2/c11-8(16)6-1-3-7(4-2-6)17-5-10(14,15)9(12)13/h1-4,9H,5H2
InChIKeyZCVIXLXOHJVUSH-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.61
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride
CID 121268116
(2-hydroxyphenyl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
CID 150510109
4-[4-(2,2,3,3,4,4,4-heptafluorobutoxy)phenyl]benzoyl chloride
CID 54183533
4-[2-(2,2,3,3-tetrafluoropropoxy)ethoxy]benzoic acid
CID 43532345
(2R)-2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride
CID 86751397
2-[2-oxo-3-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]imidazol-1-yl]propanoyl chloride
CID 22904471
1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]ethanone
CID 83119686
2,2,3,3-tetrafluoropropyl 4-(4-butoxyphenyl)benzoate
CID 21180058
(9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
CID 155432884
[8-ethyl-6-[4-(2,2,3,3-tetrafluoropropoxy)benzoyl]-9H-carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
CID 172755055
(1R)-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]propan-1-amine
CID 29004969
4-(2,2,3,3-tetrafluoropropoxy)benzene-1,2-dicarbonitrile
CID 4197247

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride?
The IUPAC name of 4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride (CID 12644770) is 4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride.
What is the SMILES notation for 4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride?
The canonical SMILES for 4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride is O=C(Cl)c1ccc(OCC(F)(F)C(F)F)cc1.
What is the InChIKey of 4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride?
The InChIKey is ZCVIXLXOHJVUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF4O2/c11-8(16)6-1-3-7(4-2-6)17-5-10(14,15)9(12)13/h1-4,9H,5H2.
What are the key properties of 4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride?
4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride has a molecular weight of 270.61 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetrafluoropropoxy)benzoyl chloride is sourced from PubChem (CID 12644770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).