2-bromo-1-chloro-1,1,2,3,3,4,4,4-octafluorobutane

C4BrClF8 — CID 154151123

IUPAC2-bromo-1-chloro-1,1,2,3,3,4,4,4-octafluorobutane
SMILESFC(F)(F)C(F)(F)C(F)(Br)C(F)(F)Cl
InChIInChI=1S/C4BrClF8/c5-1(7,3(6,10)11)2(8,9)4(12,13)14
InChIKeyPJDLPZKFMNGPHH-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.08
Rot. Bonds2

About 2-bromo-1-chloro-1,1,2,3,3,4,4,4-octafluorobutane

2-bromo-1-chloro-1,1,2,3,3,4,4,4-octafluorobutane (PubChem CID 154151123) has the molecular formula C4BrClF8 and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-bromo-1-chloro-1,1,2,3,3,4,4,4-octafluorobutane.

Molecular Properties

Compound Name2-bromo-1-chloro-1,1,2,3,3,4,4,4-octafluorobutane
PubChem CID154151123
Molecular FormulaC4BrClF8
Molecular Weight315.39 g/mol
Exact Mass313.87
IUPAC Name2-bromo-1-chloro-1,1,2,3,3,4,4,4-octafluorobutane
SMILESFC(F)(F)C(F)(F)C(F)(Br)C(F)(F)Cl
InChIInChI=1S/C4BrClF8/c5-1(7,3(6,10)11)2(8,9)4(12,13)14
InChIKeyPJDLPZKFMNGPHH-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.08
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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Related Compounds

1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane
CID 2773961
(1S,3R)-1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane
CID 95036366
9-bromo-1,1,3,5,7,10-hexachloro-1,2,2,3,4,4,5,6,6,7,8,8,9,10,10-pentadecafluorodecane
CID 154256396
3-bromo-1,1,1-trichloro-2,2,3,4,4,4-hexafluorobutane
CID 23236256
1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane
CID 15921925
1-chloro-1,1,2,2,3,3,3-heptafluoropropane;bis(1,1-dichloro-1,2,2,3,3,3-hexafluoropropane)
CID 22412566
1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
CID 2736851
1,6-dibromo-1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-dotriacontafluorohexadecane
CID 152609331
1-bromo-3,4-dichloro-1,1,2,2,3,4,4-heptafluorobutane
CID 139890181
2,2,3-tribromo-1,1,1-trichloro-3,4,4,4-tetrafluorobutane
CID 175096082
1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 6429
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-chloro-1,1,2,3,3,4,4,4-octafluorobutane?
The IUPAC name of 2-bromo-1-chloro-1,1,2,3,3,4,4,4-octafluorobutane (CID 154151123) is 2-bromo-1-chloro-1,1,2,3,3,4,4,4-octafluorobutane.
What is the SMILES notation for 2-bromo-1-chloro-1,1,2,3,3,4,4,4-octafluorobutane?
The canonical SMILES for 2-bromo-1-chloro-1,1,2,3,3,4,4,4-octafluorobutane is FC(F)(F)C(F)(F)C(F)(Br)C(F)(F)Cl.
What is the InChIKey of 2-bromo-1-chloro-1,1,2,3,3,4,4,4-octafluorobutane?
The InChIKey is PJDLPZKFMNGPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4BrClF8/c5-1(7,3(6,10)11)2(8,9)4(12,13)14.
What are the key properties of 2-bromo-1-chloro-1,1,2,3,3,4,4,4-octafluorobutane?
2-bromo-1-chloro-1,1,2,3,3,4,4,4-octafluorobutane has a molecular weight of 315.39 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-chloro-1,1,2,3,3,4,4,4-octafluorobutane is sourced from PubChem (CID 154151123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).