(2R)-1-bromo-2-chlorobutane

C4H8BrCl — CID 57480694

IUPAC(2R)-1-bromo-2-chlorobutane
SMILESCC[C@@H](Cl)CBr
InChIInChI=1S/C4H8BrCl/c1-2-4(6)3-5/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyVHMXKTNRBDTDRA-SCSAIBSYSA-N
MW171.46 g/mol
LogP2.40
Rot. Bonds2

About (2R)-1-bromo-2-chlorobutane

(2R)-1-bromo-2-chlorobutane (PubChem CID 57480694) has the molecular formula C4H8BrCl and a molecular weight of 171.46 g/mol. Its IUPAC name is (2R)-1-bromo-2-chlorobutane.

Molecular Properties

Compound Name(2R)-1-bromo-2-chlorobutane
PubChem CID57480694
Molecular FormulaC4H8BrCl
Molecular Weight171.46 g/mol
Exact Mass169.95
IUPAC Name(2R)-1-bromo-2-chlorobutane
SMILESCC[C@@H](Cl)CBr
InChIInChI=1S/C4H8BrCl/c1-2-4(6)3-5/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyVHMXKTNRBDTDRA-SCSAIBSYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.46
LogP ≤ 52.40
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

1-bromo-5-chloroheptane
CID 141486133
3,5,7,9-tetrachloroundecane
CID 20749072
3,5,7-trichlorononane
CID 86070462
1-bromo-8-chlorodecane
CID 87925762
1-bromo-2-chloropropane;2-chloropropane
CID 174371360
1-bromo-3-(3-bromo-2-chloropropoxy)-2-chloropropane
CID 57314653
(5S)-5-chloro-2-methylheptane
CID 3085973
1,1,1,3-tetrachloropentane
CID 13227610
azane;2-bromo-1,1-dichloroethane
CID 174995593
1,1-dibromo-2-chlorobutan-1-ol
CID 173450922
2-chloro-N-ethylbutan-1-amine
CID 57191582
2,4-dichloro-2-methylhexane
CID 15570353

Frequently Asked Questions

What is the IUPAC name of (2R)-1-bromo-2-chlorobutane?
The IUPAC name of (2R)-1-bromo-2-chlorobutane (CID 57480694) is (2R)-1-bromo-2-chlorobutane.
What is the SMILES notation for (2R)-1-bromo-2-chlorobutane?
The canonical SMILES for (2R)-1-bromo-2-chlorobutane is CC[C@@H](Cl)CBr.
What is the InChIKey of (2R)-1-bromo-2-chlorobutane?
The InChIKey is VHMXKTNRBDTDRA-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H8BrCl/c1-2-4(6)3-5/h4H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-1-bromo-2-chlorobutane?
(2R)-1-bromo-2-chlorobutane has a molecular weight of 171.46 g/mol, XLogP of 2.40, 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-chlorobutane is sourced from PubChem (CID 57480694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).