2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane

C6Cl2F12 — CID 154106532

IUPAC2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane
SMILESFC(F)(F)C(Cl)(C(F)(F)F)C(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6Cl2F12/c7-1(3(9,10)11,4(12,13)14)2(8,5(15,16)17)6(18,19)20
InChIKeyQMDJWKDLPTUHFL-UHFFFAOYSA-N
MW370.95 g/mol
LogP5.19
Rot. Bonds1

About 2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane

2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane (PubChem CID 154106532) has the molecular formula C6Cl2F12 and a molecular weight of 370.95 g/mol. Its IUPAC name is 2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane.

Molecular Properties

Compound Name2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane
PubChem CID154106532
Molecular FormulaC6Cl2F12
Molecular Weight370.95 g/mol
Exact Mass369.92
IUPAC Name2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane
SMILESFC(F)(F)C(Cl)(C(F)(F)F)C(Cl)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6Cl2F12/c7-1(3(9,10)11,4(12,13)14)2(8,5(15,16)17)6(18,19)20
InChIKeyQMDJWKDLPTUHFL-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.95
LogP ≤ 55.19
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

1,1,1-trichloro-2,2,2-trifluoroethane
CID 9635
dichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane
CID 87764597
1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 76970302
1-chloro-1,1,2,2,2-pentafluoroethane;ethane
CID 141108517
(1S)-1-chloro-1,2,2,2-tetrafluoro-1-iodoethane
CID 95169758
1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 6429
chloro(trifluoro)methane;hydrofluoride
CID 158114823
trichloro(fluoro)methane;hydrochloride
CID 88794151
2-chloro-1,1,1,2-tetrafluoropropane;hydrofluoride
CID 160580359
CID 102071803
CID 102071803
CID 22216068
CID 22216068
dichloro(difluoro)methane;methane;trichloro(fluoro)methane
CID 157345787

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane?
The IUPAC name of 2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane (CID 154106532) is 2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane.
What is the SMILES notation for 2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane?
The canonical SMILES for 2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane is FC(F)(F)C(Cl)(C(F)(F)F)C(Cl)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane?
The InChIKey is QMDJWKDLPTUHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl2F12/c7-1(3(9,10)11,4(12,13)14)2(8,5(15,16)17)6(18,19)20.
What are the key properties of 2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane?
2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane has a molecular weight of 370.95 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane is sourced from PubChem (CID 154106532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).