1,2,2,3,3,4,4,5,5-nonafluorocyclopentane-1-carbonyl chloride

C6ClF9O — CID 141293641

IUPAC1,2,2,3,3,4,4,5,5-nonafluorocyclopentane-1-carbonyl chloride
SMILESO=C(Cl)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6ClF9O/c7-1(17)2(8)3(9,10)5(13,14)6(15,16)4(2,11)12
InChIKeyMZXDVFCRYSYZDK-UHFFFAOYSA-N
MW294.50 g/mol
LogP3.01
Rot. Bonds1

About 1,2,2,3,3,4,4,5,5-nonafluorocyclopentane-1-carbonyl chloride

1,2,2,3,3,4,4,5,5-nonafluorocyclopentane-1-carbonyl chloride (PubChem CID 141293641) has the molecular formula C6ClF9O and a molecular weight of 294.50 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5-nonafluorocyclopentane-1-carbonyl chloride.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5-nonafluorocyclopentane-1-carbonyl chloride
PubChem CID141293641
Molecular FormulaC6ClF9O
Molecular Weight294.50 g/mol
Exact Mass293.95
IUPAC Name1,2,2,3,3,4,4,5,5-nonafluorocyclopentane-1-carbonyl chloride
SMILESO=C(Cl)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6ClF9O/c7-1(17)2(8)3(9,10)5(13,14)6(15,16)4(2,11)12
InChIKeyMZXDVFCRYSYZDK-UHFFFAOYSA-N
XLogP3.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.50
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5-nonafluorocyclopentane-1-carbonyl chloride?
The IUPAC name of 1,2,2,3,3,4,4,5,5-nonafluorocyclopentane-1-carbonyl chloride (CID 141293641) is 1,2,2,3,3,4,4,5,5-nonafluorocyclopentane-1-carbonyl chloride.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5-nonafluorocyclopentane-1-carbonyl chloride?
The canonical SMILES for 1,2,2,3,3,4,4,5,5-nonafluorocyclopentane-1-carbonyl chloride is O=C(Cl)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,2,3,3,4,4,5,5-nonafluorocyclopentane-1-carbonyl chloride?
The InChIKey is MZXDVFCRYSYZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6ClF9O/c7-1(17)2(8)3(9,10)5(13,14)6(15,16)4(2,11)12.
What are the key properties of 1,2,2,3,3,4,4,5,5-nonafluorocyclopentane-1-carbonyl chloride?
1,2,2,3,3,4,4,5,5-nonafluorocyclopentane-1-carbonyl chloride has a molecular weight of 294.50 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5-nonafluorocyclopentane-1-carbonyl chloride is sourced from PubChem (CID 141293641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).