3,4,4-trichloro-2-(difluoromethyl)-1,1,1,2-tetrafluorobutane

C5H3Cl3F6 — CID 175599639

IUPAC3,4,4-trichloro-2-(difluoromethyl)-1,1,1,2-tetrafluorobutane
SMILESFC(F)C(F)(C(Cl)C(Cl)Cl)C(F)(F)F
InChIInChI=1S/C5H3Cl3F6/c6-1(2(7)8)4(11,3(9)10)5(12,13)14/h1-3H
InChIKeyXONZFWLEIBYOKQ-UHFFFAOYSA-N
MW283.43 g/mol
LogP3.93
Rot. Bonds3

About 3,4,4-trichloro-2-(difluoromethyl)-1,1,1,2-tetrafluorobutane

3,4,4-trichloro-2-(difluoromethyl)-1,1,1,2-tetrafluorobutane (PubChem CID 175599639) has the molecular formula C5H3Cl3F6 and a molecular weight of 283.43 g/mol. Its IUPAC name is 3,4,4-trichloro-2-(difluoromethyl)-1,1,1,2-tetrafluorobutane.

Molecular Properties

Compound Name3,4,4-trichloro-2-(difluoromethyl)-1,1,1,2-tetrafluorobutane
PubChem CID175599639
Molecular FormulaC5H3Cl3F6
Molecular Weight283.43 g/mol
Exact Mass281.92
IUPAC Name3,4,4-trichloro-2-(difluoromethyl)-1,1,1,2-tetrafluorobutane
SMILESFC(F)C(F)(C(Cl)C(Cl)Cl)C(F)(F)F
InChIInChI=1S/C5H3Cl3F6/c6-1(2(7)8)4(11,3(9)10)5(12,13)14/h1-3H
InChIKeyXONZFWLEIBYOKQ-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.43
LogP ≤ 53.93
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(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
CID 88770689
2,2,3-trichloro-1,1,1,4,4-pentafluorobutane
CID 18915995
chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956
chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane
CID 160658903
1-chloro-1-deuterio-1,2,2,3,3-pentafluoropropane
CID 22808025
chloro(difluoro)methane
CID 102425690
(1R)-1-chloro-1,2-difluoro-2-methylpropane
CID 129383496
1,1,1,2,2,3,3-heptafluoropropane;hydrobromide
CID 175862099
1,1,1,2,2,3,3-heptafluoropropane;methane
CID 158693034
1,2-dichloro-1,1,2-trifluoroethane chloride
CID 158973247
CID 172837284
CID 172837284
1,1,1,2,2,3,3-heptafluoropropane;hydrochloride
CID 158268992

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trichloro-2-(difluoromethyl)-1,1,1,2-tetrafluorobutane?
The IUPAC name of 3,4,4-trichloro-2-(difluoromethyl)-1,1,1,2-tetrafluorobutane (CID 175599639) is 3,4,4-trichloro-2-(difluoromethyl)-1,1,1,2-tetrafluorobutane.
What is the SMILES notation for 3,4,4-trichloro-2-(difluoromethyl)-1,1,1,2-tetrafluorobutane?
The canonical SMILES for 3,4,4-trichloro-2-(difluoromethyl)-1,1,1,2-tetrafluorobutane is FC(F)C(F)(C(Cl)C(Cl)Cl)C(F)(F)F.
What is the InChIKey of 3,4,4-trichloro-2-(difluoromethyl)-1,1,1,2-tetrafluorobutane?
The InChIKey is XONZFWLEIBYOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl3F6/c6-1(2(7)8)4(11,3(9)10)5(12,13)14/h1-3H.
What are the key properties of 3,4,4-trichloro-2-(difluoromethyl)-1,1,1,2-tetrafluorobutane?
3,4,4-trichloro-2-(difluoromethyl)-1,1,1,2-tetrafluorobutane has a molecular weight of 283.43 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trichloro-2-(difluoromethyl)-1,1,1,2-tetrafluorobutane is sourced from PubChem (CID 175599639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).