(3R)-3,4-dichloro-1,1,1,3-tetrafluorobutane

C4H4Cl2F4 — CID 95049947

IUPAC(3R)-3,4-dichloro-1,1,1,3-tetrafluorobutane
SMILESFC(F)(F)C[C@@](F)(Cl)CCl
InChIInChI=1S/C4H4Cl2F4/c5-2-3(6,7)1-4(8,9)10/h1-2H2/t3-/m0/s1
InChIKeyGHLHNHAHGITUST-VKHMYHEASA-N
MW198.97 g/mol
LogP3.08
Rot. Bonds2

About (3R)-3,4-dichloro-1,1,1,3-tetrafluorobutane

(3R)-3,4-dichloro-1,1,1,3-tetrafluorobutane (PubChem CID 95049947) has the molecular formula C4H4Cl2F4 and a molecular weight of 198.97 g/mol. Its IUPAC name is (3R)-3,4-dichloro-1,1,1,3-tetrafluorobutane.

Molecular Properties

Compound Name(3R)-3,4-dichloro-1,1,1,3-tetrafluorobutane
PubChem CID95049947
Molecular FormulaC4H4Cl2F4
Molecular Weight198.97 g/mol
Exact Mass197.96
IUPAC Name(3R)-3,4-dichloro-1,1,1,3-tetrafluorobutane
SMILESFC(F)(F)C[C@@](F)(Cl)CCl
InChIInChI=1S/C4H4Cl2F4/c5-2-3(6,7)1-4(8,9)10/h1-2H2/t3-/m0/s1
InChIKeyGHLHNHAHGITUST-VKHMYHEASA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.97
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

2,3-dichloro-2-fluoropropan-1-ol
CID 55300893
1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane
CID 88595352
1,1,2-trichloro-1-fluoroethane;hydrofluoride
CID 87631220
CID 158264253
CID 158264253
azane;1,1,1,3,3,3-hexafluoropropane
CID 175100137
1,1,1,2-tetrachloroethane
CID 12418
2-chloro-1,1,1-trifluoroethane;2-methylpropane
CID 161109938
3,3,4-trichloro-1,1,1-trifluoropentane
CID 167088156
1,1,1,3,3,3-hexachloropropane
CID 19215
2-chloro-1,1,1-trifluoroethane;1,2-dichloro-1-fluoroethane
CID 157357085
1,1,1,3-tetrafluoro-3-(2,4,4,4-tetrafluorobutan-2-ylsulfanyl)butane
CID 87155127
chloro(fluoro)methane;1-chloro-1,1,2,2,2-pentafluoroethane
CID 157372946

Frequently Asked Questions

What is the IUPAC name of (3R)-3,4-dichloro-1,1,1,3-tetrafluorobutane?
The IUPAC name of (3R)-3,4-dichloro-1,1,1,3-tetrafluorobutane (CID 95049947) is (3R)-3,4-dichloro-1,1,1,3-tetrafluorobutane.
What is the SMILES notation for (3R)-3,4-dichloro-1,1,1,3-tetrafluorobutane?
The canonical SMILES for (3R)-3,4-dichloro-1,1,1,3-tetrafluorobutane is FC(F)(F)C[C@@](F)(Cl)CCl.
What is the InChIKey of (3R)-3,4-dichloro-1,1,1,3-tetrafluorobutane?
The InChIKey is GHLHNHAHGITUST-VKHMYHEASA-N. The full InChI is InChI=1S/C4H4Cl2F4/c5-2-3(6,7)1-4(8,9)10/h1-2H2/t3-/m0/s1.
What are the key properties of (3R)-3,4-dichloro-1,1,1,3-tetrafluorobutane?
(3R)-3,4-dichloro-1,1,1,3-tetrafluorobutane has a molecular weight of 198.97 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 (3R)-3,4-dichloro-1,1,1,3-tetrafluorobutane is sourced from PubChem (CID 95049947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).