(2R)-1-bromo-2-chloro-1,1,2-trifluorobutane

C4H5BrClF3 — CID 95757021

IUPAC(2R)-1-bromo-2-chloro-1,1,2-trifluorobutane
SMILESCC[C@@](F)(Cl)C(F)(F)Br
InChIInChI=1S/C4H5BrClF3/c1-2-3(6,7)4(5,8)9/h2H2,1H3/t3-/m0/s1
InChIKeyHHKKHXOFLQESJM-VKHMYHEASA-N
MW225.43 g/mol
LogP3.29
Rot. Bonds2

About (2R)-1-bromo-2-chloro-1,1,2-trifluorobutane

(2R)-1-bromo-2-chloro-1,1,2-trifluorobutane (PubChem CID 95757021) has the molecular formula C4H5BrClF3 and a molecular weight of 225.43 g/mol. Its IUPAC name is (2R)-1-bromo-2-chloro-1,1,2-trifluorobutane.

Molecular Properties

Compound Name(2R)-1-bromo-2-chloro-1,1,2-trifluorobutane
PubChem CID95757021
Molecular FormulaC4H5BrClF3
Molecular Weight225.43 g/mol
Exact Mass223.92
IUPAC Name(2R)-1-bromo-2-chloro-1,1,2-trifluorobutane
SMILESCC[C@@](F)(Cl)C(F)(F)Br
InChIInChI=1S/C4H5BrClF3/c1-2-3(6,7)4(5,8)9/h2H2,1H3/t3-/m0/s1
InChIKeyHHKKHXOFLQESJM-VKHMYHEASA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1,4-dibromo-2-chloro-1,1,2-trifluorobutane
CID 86308801
1-chloro-1,1-difluoropropane;trichloro(fluoro)methane
CID 135365106
1,2-dibromo-1,1-dichloro-2,2-difluoroethane
CID 2773960
1-bromo-1-chloro-1-fluoroethane
CID 57450899
(2S,4R)-1,4-dibromo-2-chloro-1,1,2-trifluorodecane
CID 94841903
1-bromo-1,1-difluoro-2-methylbutan-2-ol
CID 107139992
butane;trichloro(fluoro)methane
CID 159264115
2-chloro-1,1,1-trifluoro-2-(trifluoromethyl)butane
CID 89150301
1,2,2-trichloro-1,1-difluorobutane
CID 21119103
methyl 5-bromo-4-chloro-4,5,5-trifluoropentanoate
CID 51342036
(2S)-2-[(2R)-3-bromo-2-chloro-2,3,3-trifluoropropyl]oxirane
CID 7145783
1,1,1-trichloro-2-fluoro-2-methylbutane
CID 88824769

Frequently Asked Questions

What is the IUPAC name of (2R)-1-bromo-2-chloro-1,1,2-trifluorobutane?
The IUPAC name of (2R)-1-bromo-2-chloro-1,1,2-trifluorobutane (CID 95757021) is (2R)-1-bromo-2-chloro-1,1,2-trifluorobutane.
What is the SMILES notation for (2R)-1-bromo-2-chloro-1,1,2-trifluorobutane?
The canonical SMILES for (2R)-1-bromo-2-chloro-1,1,2-trifluorobutane is CC[C@@](F)(Cl)C(F)(F)Br.
What is the InChIKey of (2R)-1-bromo-2-chloro-1,1,2-trifluorobutane?
The InChIKey is HHKKHXOFLQESJM-VKHMYHEASA-N. The full InChI is InChI=1S/C4H5BrClF3/c1-2-3(6,7)4(5,8)9/h2H2,1H3/t3-/m0/s1.
What are the key properties of (2R)-1-bromo-2-chloro-1,1,2-trifluorobutane?
(2R)-1-bromo-2-chloro-1,1,2-trifluorobutane has a molecular weight of 225.43 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-bromo-2-chloro-1,1,2-trifluorobutane is sourced from PubChem (CID 95757021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).