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

C6Cl2F12 — CID 2736851

IUPAC1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
SMILESFC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C6Cl2F12/c7-5(17,18)3(13,14)1(9,10)2(11,12)4(15,16)6(8,19)20
InChIKeySNCGKZWVZZPGDQ-UHFFFAOYSA-N
MW370.95 g/mol
LogP5.19
Rot. Bonds5

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

1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane (PubChem CID 2736851) has the molecular formula C6Cl2F12 and a molecular weight of 370.95 g/mol. Its IUPAC name is 1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane.

Molecular Properties

Compound Name1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
PubChem CID2736851
Molecular FormulaC6Cl2F12
Molecular Weight370.95 g/mol
Exact Mass369.92
IUPAC Name1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
SMILESFC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C6Cl2F12/c7-5(17,18)3(13,14)1(9,10)2(11,12)4(15,16)6(8,19)20
InChIKeySNCGKZWVZZPGDQ-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,8-Dichloroperfluorooctane
CID 2774033
1,4-Dichloro-1,1,2,2,3,3,4,4-octafluorobutane
CID 67729
1-Chloro-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 67732
1,1,3,5,6-Pentachlorononafluorohexane
CID 520490
1-Chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
CID 12665887
2-Chloroperfluoropentane
CID 13300296
1-Chloroperfluoropentane
CID 13300297
2-Chloroperfluorohexane
CID 139815772
2-Chloroperfluoroheptane
CID 139815778
1,1,1-Trichloro-2,2,3,3,4,4,5,5,6,6,6-undecafluorohexane
CID 13597442
1,1,1-Trichloro-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptane
CID 14451758
1,2-Dichlorodecafluoropentane
CID 19424806

Frequently Asked Questions

What is the IUPAC name of 1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane?
The IUPAC name of 1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane (CID 2736851) is 1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane.
What is the SMILES notation for 1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane?
The canonical SMILES for 1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane is FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane?
The InChIKey is SNCGKZWVZZPGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl2F12/c7-5(17,18)3(13,14)1(9,10)2(11,12)4(15,16)6(8,19)20.
What are the key properties of 1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane?
1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane has a molecular weight of 370.95 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane is sourced from PubChem (CID 2736851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).