1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexane

C6ClF12I — CID 2736614

IUPAC1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexane
SMILESFC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C6ClF12I/c7-5(16,17)3(12,13)1(8,9)2(10,11)4(14,15)6(18,19)20
InChIKeyMKLCOZPKBKKNKG-UHFFFAOYSA-N
MW462.40 g/mol
LogP5.39
Rot. Bonds5

About 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexane

1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexane (PubChem CID 2736614) has the molecular formula C6ClF12I and a molecular weight of 462.40 g/mol. Its IUPAC name is 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexane.

Molecular Properties

Compound Name1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexane
PubChem CID2736614
Molecular FormulaC6ClF12I
Molecular Weight462.40 g/mol
Exact Mass461.85
IUPAC Name1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexane
SMILESFC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C6ClF12I/c7-5(16,17)3(12,13)1(8,9)2(10,11)4(14,15)6(18,19)20
InChIKeyMKLCOZPKBKKNKG-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.40
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane
CID 11046660
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-1,11-diiodoundecane
CID 89413596
2,4-dichloro-1,1,2,3,3,4,5,5-octafluoro-1,5-diiodopentane;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane
CID 19900919
1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
CID 2736851
guanidine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-10-iododecane
CID 174886297
2,4,6-tris(1,1,2,2,3,3,4,4,5,5-decafluoro-5-iodopentyl)-1,3,5-triazine
CID 10931235
1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 6429
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;4-[(E)-2-pyridin-4-ylethenyl]pyridine
CID 139148027
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;hexanedinitrile
CID 139180286
1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane
CID 15921925
(1S)-1-chloro-1,2,2,2-tetrafluoro-1-iodoethane
CID 95169758
1-chloro-1,1,2,2,3,3,3-heptafluoropropane;bis(1,1-dichloro-1,2,2,3,3,3-hexafluoropropane)
CID 22412566

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexane?
The IUPAC name of 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexane (CID 2736614) is 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexane.
What is the SMILES notation for 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexane?
The canonical SMILES for 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexane is FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I.
What is the InChIKey of 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexane?
The InChIKey is MKLCOZPKBKKNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6ClF12I/c7-5(16,17)3(12,13)1(8,9)2(10,11)4(14,15)6(18,19)20.
What are the key properties of 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexane?
1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexane has a molecular weight of 462.40 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexane is sourced from PubChem (CID 2736614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).