11-chloro-1,1,1,2,2-pentafluoro-6,6-dimethylundecane

C13H22ClF5 — CID 20726836

IUPAC11-chloro-1,1,1,2,2-pentafluoro-6,6-dimethylundecane
SMILESCC(C)(CCCCCCl)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C13H22ClF5/c1-11(2,7-4-3-5-10-14)8-6-9-12(15,16)13(17,18)19/h3-10H2,1-2H3
InChIKeyIQHPPMISDYPQPA-UHFFFAOYSA-N
MW308.76 g/mol
LogP6.18
Rot. Bonds9

About 11-chloro-1,1,1,2,2-pentafluoro-6,6-dimethylundecane

11-chloro-1,1,1,2,2-pentafluoro-6,6-dimethylundecane (PubChem CID 20726836) has the molecular formula C13H22ClF5 and a molecular weight of 308.76 g/mol. Its IUPAC name is 11-chloro-1,1,1,2,2-pentafluoro-6,6-dimethylundecane.

Molecular Properties

Compound Name11-chloro-1,1,1,2,2-pentafluoro-6,6-dimethylundecane
PubChem CID20726836
Molecular FormulaC13H22ClF5
Molecular Weight308.76 g/mol
Exact Mass308.13
IUPAC Name11-chloro-1,1,1,2,2-pentafluoro-6,6-dimethylundecane
SMILESCC(C)(CCCCCCl)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C13H22ClF5/c1-11(2,7-4-3-5-10-14)8-6-9-12(15,16)13(17,18)19/h3-10H2,1-2H3
InChIKeyIQHPPMISDYPQPA-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.76
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-Chloro-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-16-methylheptadecane
CID 21661556
4-Chloro-5-ethyl-3,3,4-trifluoro-2,5-dimethylheptane
CID 87075229
4-Chloro-3-ethyl-4,5,5-trifluoro-3,6,6-trimethyloctane
CID 88870148
14-Chloro-1,1,1,2,4,4,6,6-octafluoro-2,8,10,12-tetrakis(trifluoromethyl)tetradecane
CID 89292937
5-Chloro-4-ethyl-5,6,6,10,10-pentafluoro-3,3,4,7,7,8,8,11,11,12,12-undecamethyltetradecane
CID 89327719
8-Chloro-1,1,1,2,4,4-hexafluoro-2,6-bis(trifluoromethyl)octane
CID 89380909
3-Chloro-3,4,4-trifluoro-2,2,5,5-tetramethylheptane
CID 117860643
4-Chloro-3,3,4-trifluoro-2,5,5-trimethylheptane
CID 117980573
3-Chloro-5-ethyl-3,4,4-trifluoro-2,2,5-trimethylheptane
CID 117980574
5-Chloro-3-ethyl-4,4,5-trifluoro-3,6,6-trimethyloctane
CID 118349942
4-Chloro-3,6-diethyl-4,5,5-trifluoro-3,6-dimethyloctane
CID 118376812
4-Chloro-4,5,5-trifluoro-3,3,6,6-tetramethyloctane
CID 122634395

Frequently Asked Questions

What is the IUPAC name of 11-chloro-1,1,1,2,2-pentafluoro-6,6-dimethylundecane?
The IUPAC name of 11-chloro-1,1,1,2,2-pentafluoro-6,6-dimethylundecane (CID 20726836) is 11-chloro-1,1,1,2,2-pentafluoro-6,6-dimethylundecane.
What is the SMILES notation for 11-chloro-1,1,1,2,2-pentafluoro-6,6-dimethylundecane?
The canonical SMILES for 11-chloro-1,1,1,2,2-pentafluoro-6,6-dimethylundecane is CC(C)(CCCCCCl)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of 11-chloro-1,1,1,2,2-pentafluoro-6,6-dimethylundecane?
The InChIKey is IQHPPMISDYPQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClF5/c1-11(2,7-4-3-5-10-14)8-6-9-12(15,16)13(17,18)19/h3-10H2,1-2H3.
What are the key properties of 11-chloro-1,1,1,2,2-pentafluoro-6,6-dimethylundecane?
11-chloro-1,1,1,2,2-pentafluoro-6,6-dimethylundecane has a molecular weight of 308.76 g/mol, XLogP of 6.18, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-1,1,1,2,2-pentafluoro-6,6-dimethylundecane is sourced from PubChem (CID 20726836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).