1-chloro-3,3,4,4,5,5-hexafluoro-2-methoxypent-1-ene

C6H5ClF6O — CID 142533953

IUPAC1-chloro-3,3,4,4,5,5-hexafluoro-2-methoxypent-1-ene
SMILESCOC(=CCl)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H5ClF6O/c1-14-3(2-7)5(10,11)6(12,13)4(8)9/h2,4H,1H3
InChIKeyRHDHWHHPLSMGRM-UHFFFAOYSA-N
MW242.55 g/mol
LogP3.25
Rot. Bonds4

About 1-chloro-3,3,4,4,5,5-hexafluoro-2-methoxypent-1-ene

1-chloro-3,3,4,4,5,5-hexafluoro-2-methoxypent-1-ene (PubChem CID 142533953) has the molecular formula C6H5ClF6O and a molecular weight of 242.55 g/mol. Its IUPAC name is 1-chloro-3,3,4,4,5,5-hexafluoro-2-methoxypent-1-ene.

Molecular Properties

Compound Name1-chloro-3,3,4,4,5,5-hexafluoro-2-methoxypent-1-ene
PubChem CID142533953
Molecular FormulaC6H5ClF6O
Molecular Weight242.55 g/mol
Exact Mass241.99
IUPAC Name1-chloro-3,3,4,4,5,5-hexafluoro-2-methoxypent-1-ene
SMILESCOC(=CCl)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H5ClF6O/c1-14-3(2-7)5(10,11)6(12,13)4(8)9/h2,4H,1H3
InChIKeyRHDHWHHPLSMGRM-UHFFFAOYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.55
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-3,3,4,4,5,5-hexafluoro-2-methoxypent-1-ene?
The IUPAC name of 1-chloro-3,3,4,4,5,5-hexafluoro-2-methoxypent-1-ene (CID 142533953) is 1-chloro-3,3,4,4,5,5-hexafluoro-2-methoxypent-1-ene.
What is the SMILES notation for 1-chloro-3,3,4,4,5,5-hexafluoro-2-methoxypent-1-ene?
The canonical SMILES for 1-chloro-3,3,4,4,5,5-hexafluoro-2-methoxypent-1-ene is COC(=CCl)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1-chloro-3,3,4,4,5,5-hexafluoro-2-methoxypent-1-ene?
The InChIKey is RHDHWHHPLSMGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF6O/c1-14-3(2-7)5(10,11)6(12,13)4(8)9/h2,4H,1H3.
What are the key properties of 1-chloro-3,3,4,4,5,5-hexafluoro-2-methoxypent-1-ene?
1-chloro-3,3,4,4,5,5-hexafluoro-2-methoxypent-1-ene has a molecular weight of 242.55 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,3,4,4,5,5-hexafluoro-2-methoxypent-1-ene is sourced from PubChem (CID 142533953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).