6-(2-chloroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane

C8H6ClF11O — CID 98454570

IUPAC6-(2-chloroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCCl
InChIInChI=1S/C8H6ClF11O/c9-1-2-21-3-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)20/h1-3H2
InChIKeyOHUKFLHYNNTPHN-UHFFFAOYSA-N
MW362.57 g/mol
LogP4.35
Rot. Bonds7

About 6-(2-chloroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane

6-(2-chloroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane (PubChem CID 98454570) has the molecular formula C8H6ClF11O and a molecular weight of 362.57 g/mol. Its IUPAC name is 6-(2-chloroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane.

Molecular Properties

Compound Name6-(2-chloroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
PubChem CID98454570
Molecular FormulaC8H6ClF11O
Molecular Weight362.57 g/mol
Exact Mass361.99
IUPAC Name6-(2-chloroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCCl
InChIInChI=1S/C8H6ClF11O/c9-1-2-21-3-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)20/h1-3H2
InChIKeyOHUKFLHYNNTPHN-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.57
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

Analyze 6-(2-chloroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 158938378
CID 158938378
1,1,1,2,2,3,3,4,4-nonafluoro-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentane
CID 102378165
3-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)propanenitrile
CID 98460783
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 163325065
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-10-prop-2-enoxydecane
CID 102243921
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-prop-2-enoxyheptane
CID 102243922
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane
CID 21057502
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-hexadecafluoro-8-(trifluoromethyl)nonoxy]-2-(trifluoromethyl)nonane
CID 141408599
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methoxyhexane
CID 71669115
triethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane
CID 18466366
1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propan-2-ol
CID 14693074
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-[2-methoxy-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propoxy]octane
CID 170096223

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane?
The IUPAC name of 6-(2-chloroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane (CID 98454570) is 6-(2-chloroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane.
What is the SMILES notation for 6-(2-chloroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane?
The canonical SMILES for 6-(2-chloroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCCl.
What is the InChIKey of 6-(2-chloroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane?
The InChIKey is OHUKFLHYNNTPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF11O/c9-1-2-21-3-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)20/h1-3H2.
What are the key properties of 6-(2-chloroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane?
6-(2-chloroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane has a molecular weight of 362.57 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane is sourced from PubChem (CID 98454570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).