11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-bis(2-methylpropyl)undecanamide

C19H18ClF20NO — CID 3089870

IUPAC11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-bis(2-methylpropyl)undecanamide
SMILESCC(C)CN(CC(C)C)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C19H18ClF20NO/c1-7(2)5-41(6-8(3)4)9(42)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)19(20,39)40/h7-8H,5-6H2,1-4H3
InChIKeyXGBZGXJYGNRXCW-UHFFFAOYSA-N
MW691.77 g/mol
LogP8.68
Rot. Bonds14

About 11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-bis(2-methylpropyl)undecanamide

11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-bis(2-methylpropyl)undecanamide (PubChem CID 3089870) has the molecular formula C19H18ClF20NO and a molecular weight of 691.77 g/mol. Its IUPAC name is 11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-bis(2-methylpropyl)undecanamide.

Molecular Properties

Compound Name11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-bis(2-methylpropyl)undecanamide
PubChem CID3089870
Molecular FormulaC19H18ClF20NO
Molecular Weight691.77 g/mol
Exact Mass691.08
IUPAC Name11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-bis(2-methylpropyl)undecanamide
SMILESCC(C)CN(CC(C)C)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C19H18ClF20NO/c1-7(2)5-41(6-8(3)4)9(42)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)19(20,39)40/h7-8H,5-6H2,1-4H3
InChIKeyXGBZGXJYGNRXCW-UHFFFAOYSA-N
XLogP8.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.77
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-bis(2-methylpropyl)undecanamide with MolForge

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Related Compounds

N-butyl-N-(trifluoromethyl)undecanamide
CID 138973262
4-chloro-4,4-difluoro-N,N-dihexylbutanamide
CID 53662019
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-methyl-N-octadecyloctanamide
CID 140014608
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoro-N-methyl-N-octadecylundecanamide
CID 140014609
N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methyloctanamide
CID 153781782
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dihexylnonanamide
CID 2748490
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N,N-dioctylnonanamide
CID 3089703
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N,N-di(nonyl)heptanamide
CID 3089708
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-di(nonyl)hexanamide
CID 3089710
6-chloro-N,N-didecyl-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
CID 3089719
N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 3089720
N,N-didecyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
CID 3089721

Frequently Asked Questions

What is the IUPAC name of 11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-bis(2-methylpropyl)undecanamide?
The IUPAC name of 11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-bis(2-methylpropyl)undecanamide (CID 3089870) is 11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-bis(2-methylpropyl)undecanamide.
What is the SMILES notation for 11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-bis(2-methylpropyl)undecanamide?
The canonical SMILES for 11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-bis(2-methylpropyl)undecanamide is CC(C)CN(CC(C)C)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-bis(2-methylpropyl)undecanamide?
The InChIKey is XGBZGXJYGNRXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF20NO/c1-7(2)5-41(6-8(3)4)9(42)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)19(20,39)40/h7-8H,5-6H2,1-4H3.
What are the key properties of 11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-bis(2-methylpropyl)undecanamide?
11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-bis(2-methylpropyl)undecanamide has a molecular weight of 691.77 g/mol, XLogP of 8.68, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-N,N-bis(2-methylpropyl)undecanamide is sourced from PubChem (CID 3089870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).