1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane

C7ClF15 — CID 12665887

IUPAC1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C7ClF15/c8-6(19,20)4(15,16)2(11,12)1(9,10)3(13,14)5(17,18)7(21,22)23
InChIKeyMAUNZEOOXXBGIT-UHFFFAOYSA-N
MW404.50 g/mol
LogP5.56
Rot. Bonds5

About 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane

1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane (PubChem CID 12665887) has the molecular formula C7ClF15 and a molecular weight of 404.50 g/mol. Its IUPAC name is 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane.

Molecular Properties

Compound Name1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
PubChem CID12665887
Molecular FormulaC7ClF15
Molecular Weight404.50 g/mol
Exact Mass403.94
IUPAC Name1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C7ClF15/c8-6(19,20)4(15,16)2(11,12)1(9,10)3(13,14)5(17,18)7(21,22)23
InChIKeyMAUNZEOOXXBGIT-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.50
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_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-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane?
The IUPAC name of 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane (CID 12665887) is 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane.
What is the SMILES notation for 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane?
The canonical SMILES for 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane?
The InChIKey is MAUNZEOOXXBGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7ClF15/c8-6(19,20)4(15,16)2(11,12)1(9,10)3(13,14)5(17,18)7(21,22)23.
What are the key properties of 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane?
1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane has a molecular weight of 404.50 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane is sourced from PubChem (CID 12665887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).