(1Z)-N-(1,3-dichloro-1,1,2,3,3-pentafluoropropan-2-yl)oxy-2,2,3,3,4,4,4-heptafluorobutanimidoyl fluoride

C7Cl2F13NO — CID 10477888

IUPAC(1Z)-N-(1,3-dichloro-1,1,2,3,3-pentafluoropropan-2-yl)oxy-2,2,3,3,4,4,4-heptafluorobutanimidoyl fluoride
SMILESF/C(=N\OC(F)(C(F)(F)Cl)C(F)(F)Cl)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7Cl2F13NO/c8-5(16,17)4(15,6(9,18)19)24-23-1(10)2(11,12)3(13,14)7(20,21)22/b23-1-
InChIKeyIMZGITJIONMYBN-FALCXBHYSA-N
MW431.96 g/mol
LogP5.45
Rot. Bonds6

About (1Z)-N-(1,3-dichloro-1,1,2,3,3-pentafluoropropan-2-yl)oxy-2,2,3,3,4,4,4-heptafluorobutanimidoyl fluoride

(1Z)-N-(1,3-dichloro-1,1,2,3,3-pentafluoropropan-2-yl)oxy-2,2,3,3,4,4,4-heptafluorobutanimidoyl fluoride (PubChem CID 10477888) has the molecular formula C7Cl2F13NO and a molecular weight of 431.96 g/mol. Its IUPAC name is (1Z)-N-(1,3-dichloro-1,1,2,3,3-pentafluoropropan-2-yl)oxy-2,2,3,3,4,4,4-heptafluorobutanimidoyl fluoride.

Molecular Properties

Compound Name(1Z)-N-(1,3-dichloro-1,1,2,3,3-pentafluoropropan-2-yl)oxy-2,2,3,3,4,4,4-heptafluorobutanimidoyl fluoride
PubChem CID10477888
Molecular FormulaC7Cl2F13NO
Molecular Weight431.96 g/mol
Exact Mass430.91
IUPAC Name(1Z)-N-(1,3-dichloro-1,1,2,3,3-pentafluoropropan-2-yl)oxy-2,2,3,3,4,4,4-heptafluorobutanimidoyl fluoride
SMILESF/C(=N\OC(F)(C(F)(F)Cl)C(F)(F)Cl)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7Cl2F13NO/c8-5(16,17)4(15,6(9,18)19)24-23-1(10)2(11,12)3(13,14)7(20,21)22/b23-1-
InChIKeyIMZGITJIONMYBN-FALCXBHYSA-N
XLogP5.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.96
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N-(1,3-dichloro-1,1,2,3,3-pentafluoropropan-2-yl)oxy-2,2,3,3,4,4,4-heptafluorobutanimidoyl fluoride?
The IUPAC name of (1Z)-N-(1,3-dichloro-1,1,2,3,3-pentafluoropropan-2-yl)oxy-2,2,3,3,4,4,4-heptafluorobutanimidoyl fluoride (CID 10477888) is (1Z)-N-(1,3-dichloro-1,1,2,3,3-pentafluoropropan-2-yl)oxy-2,2,3,3,4,4,4-heptafluorobutanimidoyl fluoride.
What is the SMILES notation for (1Z)-N-(1,3-dichloro-1,1,2,3,3-pentafluoropropan-2-yl)oxy-2,2,3,3,4,4,4-heptafluorobutanimidoyl fluoride?
The canonical SMILES for (1Z)-N-(1,3-dichloro-1,1,2,3,3-pentafluoropropan-2-yl)oxy-2,2,3,3,4,4,4-heptafluorobutanimidoyl fluoride is F/C(=N\OC(F)(C(F)(F)Cl)C(F)(F)Cl)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (1Z)-N-(1,3-dichloro-1,1,2,3,3-pentafluoropropan-2-yl)oxy-2,2,3,3,4,4,4-heptafluorobutanimidoyl fluoride?
The InChIKey is IMZGITJIONMYBN-FALCXBHYSA-N. The full InChI is InChI=1S/C7Cl2F13NO/c8-5(16,17)4(15,6(9,18)19)24-23-1(10)2(11,12)3(13,14)7(20,21)22/b23-1-.
What are the key properties of (1Z)-N-(1,3-dichloro-1,1,2,3,3-pentafluoropropan-2-yl)oxy-2,2,3,3,4,4,4-heptafluorobutanimidoyl fluoride?
(1Z)-N-(1,3-dichloro-1,1,2,3,3-pentafluoropropan-2-yl)oxy-2,2,3,3,4,4,4-heptafluorobutanimidoyl fluoride has a molecular weight of 431.96 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(1,3-dichloro-1,1,2,3,3-pentafluoropropan-2-yl)oxy-2,2,3,3,4,4,4-heptafluorobutanimidoyl fluoride is sourced from PubChem (CID 10477888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).