3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane

C6H2Cl2F10 — CID 18916016

IUPAC3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane
SMILESFC(F)C(F)C(F)(Cl)C(F)(Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2Cl2F10/c7-3(12,1(9)2(10)11)4(8,13)5(14,15)6(16,17)18/h1-2H
InChIKeyBSJMDZGGCXVAHK-UHFFFAOYSA-N
MW334.97 g/mol
LogP4.60
Rot. Bonds4

About 3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane

3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane (PubChem CID 18916016) has the molecular formula C6H2Cl2F10 and a molecular weight of 334.97 g/mol. Its IUPAC name is 3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane.

Molecular Properties

Compound Name3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane
PubChem CID18916016
Molecular FormulaC6H2Cl2F10
Molecular Weight334.97 g/mol
Exact Mass333.94
IUPAC Name3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane
SMILESFC(F)C(F)C(F)(Cl)C(F)(Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2Cl2F10/c7-3(12,1(9)2(10)11)4(8,13)5(14,15)6(16,17)18/h1-2H
InChIKeyBSJMDZGGCXVAHK-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.97
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1,1,1,3,4,4-hexafluoro-2-methylbutane
CID 19781251
chloro(trifluoro)methane;1,1-difluoroethane
CID 161180973
trimethyl(1,2,2,3,3,4,4,4-octafluorobutyl)phosphanium chloride
CID 87697367
2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane
CID 154106532
chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
CID 88770689
1,1,1,2,2,3,4,5,6,6-decafluoro-3-iodohexane
CID 87613315
1,1,1,2,3,3,4,4,5,6,6-undecafluoro-2-methylhexane
CID 91394956
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
2,2,3-trichloro-1,1,1,4,4-pentafluorobutane
CID 18915995
1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane
CID 154303598
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2-trichloro-2-fluoroethoxy)propane
CID 175726700
3-chloro-2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluorononanoic acid
CID 165364716

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane?
The IUPAC name of 3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane (CID 18916016) is 3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane.
What is the SMILES notation for 3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane?
The canonical SMILES for 3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane is FC(F)C(F)C(F)(Cl)C(F)(Cl)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane?
The InChIKey is BSJMDZGGCXVAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F10/c7-3(12,1(9)2(10)11)4(8,13)5(14,15)6(16,17)18/h1-2H.
What are the key properties of 3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane?
3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane has a molecular weight of 334.97 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1,1,1,2,2,3,4,5,6,6-decafluorohexane is sourced from PubChem (CID 18916016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).