1,3-dibromo-4-chloro-1,1-difluorobutane

C4H5Br2ClF2 — CID 11822246

IUPAC1,3-dibromo-4-chloro-1,1-difluorobutane
SMILESFC(F)(Br)CC(Br)CCl
InChIInChI=1S/C4H5Br2ClF2/c5-3(2-7)1-4(6,8)9/h3H,1-2H2
InChIKeyFKFMDSPQRQWSRC-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.37
Rot. Bonds3

About 1,3-dibromo-4-chloro-1,1-difluorobutane

1,3-dibromo-4-chloro-1,1-difluorobutane (PubChem CID 11822246) has the molecular formula C4H5Br2ClF2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1,3-dibromo-4-chloro-1,1-difluorobutane.

Molecular Properties

Compound Name1,3-dibromo-4-chloro-1,1-difluorobutane
PubChem CID11822246
Molecular FormulaC4H5Br2ClF2
Molecular Weight286.34 g/mol
Exact Mass283.84
IUPAC Name1,3-dibromo-4-chloro-1,1-difluorobutane
SMILESFC(F)(Br)CC(Br)CCl
InChIInChI=1S/C4H5Br2ClF2/c5-3(2-7)1-4(6,8)9/h3H,1-2H2
InChIKeyFKFMDSPQRQWSRC-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.37
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

3-bromo-1,1,1,4-tetrachlorobutane
CID 12718039
1,3-dibromo-1,1,3-trifluoropropane
CID 45075709
2-bromo-1-chloro-3-fluoropropane
CID 12759423
1,3-dibromo-4-ethoxy-1,1-difluorobutane
CID 119098562
2-bromo-3-chloro-1,1,1,2-tetrafluoropropane
CID 175694504
3-bromo-3-chloro-1,1,1-trifluoropropane
CID 18356503
(2,4-dibromo-4,4-difluorobutyl) benzoate
CID 54143178
(1,3-dibromo-3,3-difluoropropyl)cyclohexane
CID 10519701
4-chloro-1,1,1,3-tetrafluorobutane
CID 174723522
3-bromo-4-chloro-2,2-difluorobutanal
CID 54079918
1,3-dibromo-2,5,5,5-tetrachloro-1,1,2-trifluoropentane
CID 119097203
1,1,2,2,4,5-hexabromopentane
CID 23336945

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-4-chloro-1,1-difluorobutane?
The IUPAC name of 1,3-dibromo-4-chloro-1,1-difluorobutane (CID 11822246) is 1,3-dibromo-4-chloro-1,1-difluorobutane.
What is the SMILES notation for 1,3-dibromo-4-chloro-1,1-difluorobutane?
The canonical SMILES for 1,3-dibromo-4-chloro-1,1-difluorobutane is FC(F)(Br)CC(Br)CCl.
What is the InChIKey of 1,3-dibromo-4-chloro-1,1-difluorobutane?
The InChIKey is FKFMDSPQRQWSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Br2ClF2/c5-3(2-7)1-4(6,8)9/h3H,1-2H2.
What are the key properties of 1,3-dibromo-4-chloro-1,1-difluorobutane?
1,3-dibromo-4-chloro-1,1-difluorobutane has a molecular weight of 286.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-4-chloro-1,1-difluorobutane is sourced from PubChem (CID 11822246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).