1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctane

C8H2ClF15 — CID 21115605

IUPAC1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctane
SMILESFCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C8H2ClF15/c9-8(23,24)7(21,22)6(19,20)5(17,18)4(15,16)3(13,14)2(11,12)1-10/h1H2
InChIKeyRPCAYPDVYFWAQH-UHFFFAOYSA-N
MW418.53 g/mol
LogP5.60
Rot. Bonds7

About 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctane

1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctane (PubChem CID 21115605) has the molecular formula C8H2ClF15 and a molecular weight of 418.53 g/mol. Its IUPAC name is 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctane.

Molecular Properties

Compound Name1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctane
PubChem CID21115605
Molecular FormulaC8H2ClF15
Molecular Weight418.53 g/mol
Exact Mass417.96
IUPAC Name1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctane
SMILESFCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C8H2ClF15/c9-8(23,24)7(21,22)6(19,20)5(17,18)4(15,16)3(13,14)2(11,12)1-10/h1H2
InChIKeyRPCAYPDVYFWAQH-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.53
LogP ≤ 55.60
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-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctane?
The IUPAC name of 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctane (CID 21115605) is 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctane.
What is the SMILES notation for 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctane?
The canonical SMILES for 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctane is FCC(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-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctane?
The InChIKey is RPCAYPDVYFWAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF15/c9-8(23,24)7(21,22)6(19,20)5(17,18)4(15,16)3(13,14)2(11,12)1-10/h1H2.
What are the key properties of 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctane?
1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctane has a molecular weight of 418.53 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluorooctane is sourced from PubChem (CID 21115605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).