1-bromo-2,4-difluorobutane

C4H7BrF2 — CID 84654528

IUPAC1-bromo-2,4-difluorobutane
SMILESFCCC(F)CBr
InChIInChI=1S/C4H7BrF2/c5-3-4(7)1-2-6/h4H,1-3H2
InChIKeyMLBJSOODANBBNU-UHFFFAOYSA-N
MW173.00 g/mol
LogP2.08
Rot. Bonds3

About 1-bromo-2,4-difluorobutane

1-bromo-2,4-difluorobutane (PubChem CID 84654528) has the molecular formula C4H7BrF2 and a molecular weight of 173.00 g/mol. Its IUPAC name is 1-bromo-2,4-difluorobutane.

Molecular Properties

Compound Name1-bromo-2,4-difluorobutane
PubChem CID84654528
Molecular FormulaC4H7BrF2
Molecular Weight173.00 g/mol
Exact Mass171.97
IUPAC Name1-bromo-2,4-difluorobutane
SMILESFCCC(F)CBr
InChIInChI=1S/C4H7BrF2/c5-3-4(7)1-2-6/h4H,1-3H2
InChIKeyMLBJSOODANBBNU-UHFFFAOYSA-N
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.00
LogP ≤ 52.08
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

(3S)-1,3-difluoroheptane
CID 148515317
2,4-difluoro-N-methylbutan-1-amine
CID 147861140
(14S)-15-bromo-14-fluoropentadecanoic acid
CID 98040458
(3-bromo-2-fluoropropyl) carbamate
CID 158576648
1,2,5-trifluoropentane
CID 87247739
2-bromo-1-chloro-1-fluoroethane
CID 13299939
1,2,4-trifluorobutane-1-thiol
CID 139415886
1,3-dibromo-2,4-difluorobutane
CID 23263192
3-fluoropentane-1,5-diamine
CID 115011093
3-bromo-1,1-difluoropropane
CID 18504245
N,2,4-trifluorobutanamide
CID 23290112
2,4-difluorobutanenitrile
CID 175233038

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,4-difluorobutane?
The IUPAC name of 1-bromo-2,4-difluorobutane (CID 84654528) is 1-bromo-2,4-difluorobutane.
What is the SMILES notation for 1-bromo-2,4-difluorobutane?
The canonical SMILES for 1-bromo-2,4-difluorobutane is FCCC(F)CBr.
What is the InChIKey of 1-bromo-2,4-difluorobutane?
The InChIKey is MLBJSOODANBBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrF2/c5-3-4(7)1-2-6/h4H,1-3H2.
What are the key properties of 1-bromo-2,4-difluorobutane?
1-bromo-2,4-difluorobutane has a molecular weight of 173.00 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-difluorobutane is sourced from PubChem (CID 84654528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).