2-chloro-1,1,3,4,4,5,5,6,6,10-decafluorodec-1-ene

C10H9ClF10 — CID 154411564

IUPAC2-chloro-1,1,3,4,4,5,5,6,6,10-decafluorodec-1-ene
SMILESFCCCCC(F)(F)C(F)(F)C(F)(F)C(F)C(Cl)=C(F)F
InChIInChI=1S/C10H9ClF10/c11-5(7(14)15)6(13)9(18,19)10(20,21)8(16,17)3-1-2-4-12/h6H,1-4H2
InChIKeyZXBYPYYZRHNJEL-UHFFFAOYSA-N
MW354.62 g/mol
LogP5.72
Rot. Bonds8

About 2-chloro-1,1,3,4,4,5,5,6,6,10-decafluorodec-1-ene

2-chloro-1,1,3,4,4,5,5,6,6,10-decafluorodec-1-ene (PubChem CID 154411564) has the molecular formula C10H9ClF10 and a molecular weight of 354.62 g/mol. Its IUPAC name is 2-chloro-1,1,3,4,4,5,5,6,6,10-decafluorodec-1-ene.

Molecular Properties

Compound Name2-chloro-1,1,3,4,4,5,5,6,6,10-decafluorodec-1-ene
PubChem CID154411564
Molecular FormulaC10H9ClF10
Molecular Weight354.62 g/mol
Exact Mass354.02
IUPAC Name2-chloro-1,1,3,4,4,5,5,6,6,10-decafluorodec-1-ene
SMILESFCCCCC(F)(F)C(F)(F)C(F)(F)C(F)C(Cl)=C(F)F
InChIInChI=1S/C10H9ClF10/c11-5(7(14)15)6(13)9(18,19)10(20,21)8(16,17)3-1-2-4-12/h6H,1-4H2
InChIKeyZXBYPYYZRHNJEL-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.62
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tetratriacontafluorodocosane
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1,3,4,4,5,5,6,6,10-decafluorodec-1-ene?
The IUPAC name of 2-chloro-1,1,3,4,4,5,5,6,6,10-decafluorodec-1-ene (CID 154411564) is 2-chloro-1,1,3,4,4,5,5,6,6,10-decafluorodec-1-ene.
What is the SMILES notation for 2-chloro-1,1,3,4,4,5,5,6,6,10-decafluorodec-1-ene?
The canonical SMILES for 2-chloro-1,1,3,4,4,5,5,6,6,10-decafluorodec-1-ene is FCCCCC(F)(F)C(F)(F)C(F)(F)C(F)C(Cl)=C(F)F.
What is the InChIKey of 2-chloro-1,1,3,4,4,5,5,6,6,10-decafluorodec-1-ene?
The InChIKey is ZXBYPYYZRHNJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF10/c11-5(7(14)15)6(13)9(18,19)10(20,21)8(16,17)3-1-2-4-12/h6H,1-4H2.
What are the key properties of 2-chloro-1,1,3,4,4,5,5,6,6,10-decafluorodec-1-ene?
2-chloro-1,1,3,4,4,5,5,6,6,10-decafluorodec-1-ene has a molecular weight of 354.62 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,3,4,4,5,5,6,6,10-decafluorodec-1-ene is sourced from PubChem (CID 154411564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).