2-fluoro-2-(oxan-4-yl)acetyl chloride

C7H10ClFO2 — CID 105439137

IUPAC2-fluoro-2-(oxan-4-yl)acetyl chloride
SMILESO=C(Cl)C(F)C1CCOCC1
InChIInChI=1S/C7H10ClFO2/c8-7(10)6(9)5-1-3-11-4-2-5/h5-6H,1-4H2
InChIKeyFEUSJTAPTAPOPR-UHFFFAOYSA-N
MW180.61 g/mol
LogP1.52
Rot. Bonds2

About 2-fluoro-2-(oxan-4-yl)acetyl chloride

2-fluoro-2-(oxan-4-yl)acetyl chloride (PubChem CID 105439137) has the molecular formula C7H10ClFO2 and a molecular weight of 180.61 g/mol. Its IUPAC name is 2-fluoro-2-(oxan-4-yl)acetyl chloride.

Molecular Properties

Compound Name2-fluoro-2-(oxan-4-yl)acetyl chloride
PubChem CID105439137
Molecular FormulaC7H10ClFO2
Molecular Weight180.61 g/mol
Exact Mass180.04
IUPAC Name2-fluoro-2-(oxan-4-yl)acetyl chloride
SMILESO=C(Cl)C(F)C1CCOCC1
InChIInChI=1S/C7H10ClFO2/c8-7(10)6(9)5-1-3-11-4-2-5/h5-6H,1-4H2
InChIKeyFEUSJTAPTAPOPR-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.61
LogP ≤ 51.52
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

(2S)-2-fluoro-2-[(3R)-oxolan-3-yl]acetic acid
CID 129372213
cyclopropyl(oxan-4-yl)methanol
CID 63936668
bis[2-chloro-1-(oxan-4-yl)ethyl] carbonate
CID 88995782
4,4-difluoro-3-(oxan-4-yl)butanoic acid
CID 115025684
2,2,3,3-tetrafluoro-N-[1-(oxan-4-yl)ethyl]propanamide
CID 103769518
2,2-difluoro-1-(oxan-4-yl)ethanamine
CID 80604527
2-(4-fluorophenyl)-2-(oxan-4-yl)acetic acid
CID 82388803
(2R)-2-(oxan-4-yl)butanedioic acid
CID 129389221
2-fluoro-2-(oxan-4-yl)ethanamine
CID 112562633
(1S)-2,2-difluoro-1-(oxan-4-yl)ethanamine;hydrochloride
CID 155822311
oxane-4-carbonyl fluoride
CID 142990314
2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonyl chloride
CID 114827559

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(oxan-4-yl)acetyl chloride?
The IUPAC name of 2-fluoro-2-(oxan-4-yl)acetyl chloride (CID 105439137) is 2-fluoro-2-(oxan-4-yl)acetyl chloride.
What is the SMILES notation for 2-fluoro-2-(oxan-4-yl)acetyl chloride?
The canonical SMILES for 2-fluoro-2-(oxan-4-yl)acetyl chloride is O=C(Cl)C(F)C1CCOCC1.
What is the InChIKey of 2-fluoro-2-(oxan-4-yl)acetyl chloride?
The InChIKey is FEUSJTAPTAPOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClFO2/c8-7(10)6(9)5-1-3-11-4-2-5/h5-6H,1-4H2.
What are the key properties of 2-fluoro-2-(oxan-4-yl)acetyl chloride?
2-fluoro-2-(oxan-4-yl)acetyl chloride has a molecular weight of 180.61 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(oxan-4-yl)acetyl chloride is sourced from PubChem (CID 105439137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).