9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-sulfonyl chloride

C18H17ClF20O2S — CID 59721658

IUPAC9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCC(CC(CC(CC(F)(F)CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H17ClF20O2S/c19-42(40,41)2-1-8(14(25,26)27)3-9(15(28,29)30)4-10(16(31,32)33)5-11(20,21)6-12(22,23)7-13(24,17(34,35)36)18(37,38)39/h8-10H,1-7H2
InChIKeyXQEYRMPWPKJXEC-UHFFFAOYSA-N
MW712.81 g/mol
LogP9.53
Rot. Bonds13

About 9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-sulfonyl chloride

9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-sulfonyl chloride (PubChem CID 59721658) has the molecular formula C18H17ClF20O2S and a molecular weight of 712.81 g/mol. Its IUPAC name is 9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-sulfonyl chloride.

Molecular Properties

Compound Name9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-sulfonyl chloride
PubChem CID59721658
Molecular FormulaC18H17ClF20O2S
Molecular Weight712.81 g/mol
Exact Mass712.03
IUPAC Name9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCC(CC(CC(CC(F)(F)CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H17ClF20O2S/c19-42(40,41)2-1-8(14(25,26)27)3-9(15(28,29)30)4-10(16(31,32)33)5-11(20,21)6-12(22,23)7-13(24,17(34,35)36)18(37,38)39/h8-10H,1-7H2
InChIKeyXQEYRMPWPKJXEC-UHFFFAOYSA-N
XLogP9.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.81
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-sulfonyl chloride with MolForge

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Related Compounds

9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-thiol
CID 59721655
1,1,1,2,4,4,6,6,13,13,13-undecafluoro-12-iodo-2,8,10-tris(trifluoromethyl)tridecane
CID 59721653
molecular chlorine;7,8,8,8-tetrafluoro-3,5,7-tris(trifluoromethyl)octane-1-sulfonyl chloride;[7,8,8,8-tetrafluoro-3,5,7-tris(trifluoromethyl)octyl] thiocyanate
CID 160648075
carboxymethyl-dimethyl-[3-[[9,9,11,11,13,14,14,14-octafluoro-13-methyl-3,5,7-tris(trifluoromethyl)tetradecyl]sulfonylamino]propyl]azanium
CID 58419012
4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentane-1-sulfonyl chloride
CID 58918806
3-[[5,5,7,8,8,8-hexafluoro-3,7-bis(trifluoromethyl)octyl]amino]propyl-hydroxy-dimethylazanium
CID 89380907
3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hexane-1-sulfonyl chloride;[3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hexyl] thiocyanate;molecular chlorine
CID 162206299
3-amino-5,5,5-trifluoro-4-oxopentane-1-sulfonyl chloride
CID 88792204
1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane
CID 143403547
1-[7,8,8,8-tetrafluoro-3,5,7-tris(trifluoromethyl)octyl]sulfanylbutan-2-ol
CID 162582866
sodium;carboxymethyl-dimethyl-[3-[[9,9,11,11,13,14,14,14-octafluoro-7,13-dimethyl-3,5-bis(trifluoromethyl)tetradecyl]sulfonylamino]propyl]azanium;2-chloroacetate;N-[3-(dimethylamino)propyl]-9,9,11,11,13,14,14,14-octafluoro-7,13-dimethyl-3,5-bis(trifluoromethyl)tetradecane-1-sulfonamide
CID 162192131
3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonyl chloride
CID 103311335

Frequently Asked Questions

What is the IUPAC name of 9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-sulfonyl chloride?
The IUPAC name of 9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-sulfonyl chloride (CID 59721658) is 9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-sulfonyl chloride.
What is the SMILES notation for 9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-sulfonyl chloride?
The canonical SMILES for 9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-sulfonyl chloride is O=S(=O)(Cl)CCC(CC(CC(CC(F)(F)CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-sulfonyl chloride?
The InChIKey is XQEYRMPWPKJXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF20O2S/c19-42(40,41)2-1-8(14(25,26)27)3-9(15(28,29)30)4-10(16(31,32)33)5-11(20,21)6-12(22,23)7-13(24,17(34,35)36)18(37,38)39/h8-10H,1-7H2.
What are the key properties of 9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-sulfonyl chloride?
9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-sulfonyl chloride has a molecular weight of 712.81 g/mol, XLogP of 9.53, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-sulfonyl chloride is sourced from PubChem (CID 59721658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).