1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride

C8H12ClFO — CID 42626041

IUPAC1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride
SMILESCC1(C)C(C)(C)C1(F)C(=O)Cl
InChIInChI=1S/C8H12ClFO/c1-6(2)7(3,4)8(6,10)5(9)11/h1-4H3
InChIKeyDHJRZXOLSSUPLZ-UHFFFAOYSA-N
MW178.63 g/mol
LogP2.53
Rot. Bonds1

About 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride

1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride (PubChem CID 42626041) has the molecular formula C8H12ClFO and a molecular weight of 178.63 g/mol. Its IUPAC name is 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride
PubChem CID42626041
Molecular FormulaC8H12ClFO
Molecular Weight178.63 g/mol
Exact Mass178.06
IUPAC Name1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride
SMILESCC1(C)C(C)(C)C1(F)C(=O)Cl
InChIInChI=1S/C8H12ClFO/c1-6(2)7(3,4)8(6,10)5(9)11/h1-4H3
InChIKeyDHJRZXOLSSUPLZ-UHFFFAOYSA-N
XLogP2.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.63
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride?
The IUPAC name of 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride (CID 42626041) is 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride.
What is the SMILES notation for 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride?
The canonical SMILES for 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride is CC1(C)C(C)(C)C1(F)C(=O)Cl.
What is the InChIKey of 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride?
The InChIKey is DHJRZXOLSSUPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClFO/c1-6(2)7(3,4)8(6,10)5(9)11/h1-4H3.
What are the key properties of 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride?
1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride has a molecular weight of 178.63 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carbonyl chloride is sourced from PubChem (CID 42626041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).