1-bromo-1-chloro-2,2,3,3,4-pentafluoro-4-heptoxycyclobutane

C11H15BrClF5O — CID 154312425

IUPAC1-bromo-1-chloro-2,2,3,3,4-pentafluoro-4-heptoxycyclobutane
SMILESCCCCCCCOC1(F)C(F)(F)C(F)(F)C1(Cl)Br
InChIInChI=1S/C11H15BrClF5O/c1-2-3-4-5-6-7-19-11(18)8(12,13)9(14,15)10(11,16)17/h2-7H2,1H3
InChIKeyHDBWHYUQAUNYFU-UHFFFAOYSA-N
MW373.59 g/mol
LogP5.25
Rot. Bonds7

About 1-bromo-1-chloro-2,2,3,3,4-pentafluoro-4-heptoxycyclobutane

1-bromo-1-chloro-2,2,3,3,4-pentafluoro-4-heptoxycyclobutane (PubChem CID 154312425) has the molecular formula C11H15BrClF5O and a molecular weight of 373.59 g/mol. Its IUPAC name is 1-bromo-1-chloro-2,2,3,3,4-pentafluoro-4-heptoxycyclobutane.

Molecular Properties

Compound Name1-bromo-1-chloro-2,2,3,3,4-pentafluoro-4-heptoxycyclobutane
PubChem CID154312425
Molecular FormulaC11H15BrClF5O
Molecular Weight373.59 g/mol
Exact Mass371.99
IUPAC Name1-bromo-1-chloro-2,2,3,3,4-pentafluoro-4-heptoxycyclobutane
SMILESCCCCCCCOC1(F)C(F)(F)C(F)(F)C1(Cl)Br
InChIInChI=1S/C11H15BrClF5O/c1-2-3-4-5-6-7-19-11(18)8(12,13)9(14,15)10(11,16)17/h2-7H2,1H3
InChIKeyHDBWHYUQAUNYFU-UHFFFAOYSA-N
XLogP5.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.59
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4-heptafluoro-4-hexoxycyclobutane
CID 56997371
1-(bromomethoxy)nonane
CID 156529703
ethane;octadecane
CID 143981738
decane;ruthenium
CID 160818595
1-bromo-7-heptoxyheptane
CID 59707760
1-(6-bromohexoxy)decane
CID 163381140
1-(2-bromoethoxy)nonane
CID 59341239
1-octylperoxynonane
CID 151564626
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
dodecylmercury;hydrate
CID 78070234

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-chloro-2,2,3,3,4-pentafluoro-4-heptoxycyclobutane?
The IUPAC name of 1-bromo-1-chloro-2,2,3,3,4-pentafluoro-4-heptoxycyclobutane (CID 154312425) is 1-bromo-1-chloro-2,2,3,3,4-pentafluoro-4-heptoxycyclobutane.
What is the SMILES notation for 1-bromo-1-chloro-2,2,3,3,4-pentafluoro-4-heptoxycyclobutane?
The canonical SMILES for 1-bromo-1-chloro-2,2,3,3,4-pentafluoro-4-heptoxycyclobutane is CCCCCCCOC1(F)C(F)(F)C(F)(F)C1(Cl)Br.
What is the InChIKey of 1-bromo-1-chloro-2,2,3,3,4-pentafluoro-4-heptoxycyclobutane?
The InChIKey is HDBWHYUQAUNYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClF5O/c1-2-3-4-5-6-7-19-11(18)8(12,13)9(14,15)10(11,16)17/h2-7H2,1H3.
What are the key properties of 1-bromo-1-chloro-2,2,3,3,4-pentafluoro-4-heptoxycyclobutane?
1-bromo-1-chloro-2,2,3,3,4-pentafluoro-4-heptoxycyclobutane has a molecular weight of 373.59 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-chloro-2,2,3,3,4-pentafluoro-4-heptoxycyclobutane is sourced from PubChem (CID 154312425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).