5-chloro-1,1,2,2,3,3,4-heptafluoro-4-methoxypentane

C6H6ClF7O — CID 14093190

IUPAC5-chloro-1,1,2,2,3,3,4-heptafluoro-4-methoxypentane
SMILESCOC(F)(CCl)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H6ClF7O/c1-15-4(10,2-7)6(13,14)5(11,12)3(8)9/h3H,2H2,1H3
InChIKeyZIOOJCYEUUGWNX-UHFFFAOYSA-N
MW262.55 g/mol
LogP3.07
Rot. Bonds5

About 5-chloro-1,1,2,2,3,3,4-heptafluoro-4-methoxypentane

5-chloro-1,1,2,2,3,3,4-heptafluoro-4-methoxypentane (PubChem CID 14093190) has the molecular formula C6H6ClF7O and a molecular weight of 262.55 g/mol. Its IUPAC name is 5-chloro-1,1,2,2,3,3,4-heptafluoro-4-methoxypentane.

Molecular Properties

Compound Name5-chloro-1,1,2,2,3,3,4-heptafluoro-4-methoxypentane
PubChem CID14093190
Molecular FormulaC6H6ClF7O
Molecular Weight262.55 g/mol
Exact Mass262.00
IUPAC Name5-chloro-1,1,2,2,3,3,4-heptafluoro-4-methoxypentane
SMILESCOC(F)(CCl)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H6ClF7O/c1-15-4(10,2-7)6(13,14)5(11,12)3(8)9/h3H,2H2,1H3
InChIKeyZIOOJCYEUUGWNX-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.55
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane
CID 87506465
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane
CID 22735005
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorododecane
CID 163290372
1,1,2,2,3,3,4,4-octafluorodecane
CID 10613179
2,2,3,3,4,4,5,5-octafluoropentyl hypoiodite
CID 148632122
1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane
CID 163290381
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl methyl sulfate
CID 148576735
1,1,2,2,3,3,4,4-octafluoro-5-iodopentane
CID 2775883
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-henicosafluoro-11-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecoxy)undecane
CID 88791163
1,1,2,2,3,3,4,4-octafluorobutylsilane
CID 175217850

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,1,2,2,3,3,4-heptafluoro-4-methoxypentane?
The IUPAC name of 5-chloro-1,1,2,2,3,3,4-heptafluoro-4-methoxypentane (CID 14093190) is 5-chloro-1,1,2,2,3,3,4-heptafluoro-4-methoxypentane.
What is the SMILES notation for 5-chloro-1,1,2,2,3,3,4-heptafluoro-4-methoxypentane?
The canonical SMILES for 5-chloro-1,1,2,2,3,3,4-heptafluoro-4-methoxypentane is COC(F)(CCl)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 5-chloro-1,1,2,2,3,3,4-heptafluoro-4-methoxypentane?
The InChIKey is ZIOOJCYEUUGWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF7O/c1-15-4(10,2-7)6(13,14)5(11,12)3(8)9/h3H,2H2,1H3.
What are the key properties of 5-chloro-1,1,2,2,3,3,4-heptafluoro-4-methoxypentane?
5-chloro-1,1,2,2,3,3,4-heptafluoro-4-methoxypentane has a molecular weight of 262.55 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,1,2,2,3,3,4-heptafluoro-4-methoxypentane is sourced from PubChem (CID 14093190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).