1,2-dichloro-1,2-difluoro-3-methylbutane

C5H8Cl2F2 — CID 56617093

IUPAC1,2-dichloro-1,2-difluoro-3-methylbutane
SMILESCC(C)C(F)(Cl)C(F)Cl
InChIInChI=1S/C5H8Cl2F2/c1-3(2)5(7,9)4(6)8/h3-4H,1-2H3
InChIKeyNWZYARDASZYTFK-UHFFFAOYSA-N
MW177.02 g/mol
LogP3.08
Rot. Bonds2

About 1,2-dichloro-1,2-difluoro-3-methylbutane

1,2-dichloro-1,2-difluoro-3-methylbutane (PubChem CID 56617093) has the molecular formula C5H8Cl2F2 and a molecular weight of 177.02 g/mol. Its IUPAC name is 1,2-dichloro-1,2-difluoro-3-methylbutane.

Molecular Properties

Compound Name1,2-dichloro-1,2-difluoro-3-methylbutane
PubChem CID56617093
Molecular FormulaC5H8Cl2F2
Molecular Weight177.02 g/mol
Exact Mass176.00
IUPAC Name1,2-dichloro-1,2-difluoro-3-methylbutane
SMILESCC(C)C(F)(Cl)C(F)Cl
InChIInChI=1S/C5H8Cl2F2/c1-3(2)5(7,9)4(6)8/h3-4H,1-2H3
InChIKeyNWZYARDASZYTFK-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.02
LogP ≤ 53.08
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

chloro(trifluoro)methane;1,1-difluoroethane
CID 161180973
2-chloro-2-fluoro-3-methylbutane
CID 88897527
(1R)-1-chloro-1,2-difluoro-2-methylpropane
CID 129383496
1,2-dichloro-1,1,2-trifluoroethane chloride
CID 158973247
1,2-dichloro-1,2,3,3-tetrafluoropropane;propane-1-thiol
CID 137365473
1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane
CID 157380637
chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956
3-methylbutan-2-amine;1,1,3-trichloro-1,2,2,3-tetrafluoropropane
CID 160996820
1-chloro-3-(4-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane
CID 88789392
chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
CID 88770689
3,4-dichloro-3,4-difluoro-2-methylbut-1-ene
CID 119096846
1,2,3,4-tetrachloro-1,1,2,4-tetrafluorobutane
CID 57001137

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-1,2-difluoro-3-methylbutane?
The IUPAC name of 1,2-dichloro-1,2-difluoro-3-methylbutane (CID 56617093) is 1,2-dichloro-1,2-difluoro-3-methylbutane.
What is the SMILES notation for 1,2-dichloro-1,2-difluoro-3-methylbutane?
The canonical SMILES for 1,2-dichloro-1,2-difluoro-3-methylbutane is CC(C)C(F)(Cl)C(F)Cl.
What is the InChIKey of 1,2-dichloro-1,2-difluoro-3-methylbutane?
The InChIKey is NWZYARDASZYTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2F2/c1-3(2)5(7,9)4(6)8/h3-4H,1-2H3.
What are the key properties of 1,2-dichloro-1,2-difluoro-3-methylbutane?
1,2-dichloro-1,2-difluoro-3-methylbutane has a molecular weight of 177.02 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1,2-difluoro-3-methylbutane is sourced from PubChem (CID 56617093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).