8-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanamide

C12H10ClF14NO — CID 4047637

IUPAC8-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanamide
SMILESCCN(CC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C12H10ClF14NO/c1-3-28(4-2)5(29)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(13,26)27/h3-4H2,1-2H3
InChIKeyYCBCWLZEBVHEBG-UHFFFAOYSA-N
MW485.64 g/mol
LogP5.50
Rot. Bonds9

About 8-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanamide

8-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanamide (PubChem CID 4047637) has the molecular formula C12H10ClF14NO and a molecular weight of 485.64 g/mol. Its IUPAC name is 8-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanamide.

Molecular Properties

Compound Name8-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanamide
PubChem CID4047637
Molecular FormulaC12H10ClF14NO
Molecular Weight485.64 g/mol
Exact Mass485.02
IUPAC Name8-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanamide
SMILESCCN(CC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C12H10ClF14NO/c1-3-28(4-2)5(29)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(13,26)27/h3-4H2,1-2H3
InChIKeyYCBCWLZEBVHEBG-UHFFFAOYSA-N
XLogP5.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.64
LogP ≤ 55.50
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'}

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Related Compounds

N,N-Diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 2748487
Heptanamide, N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-
CID 4379511
N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 14419739
N,N-diethyl-2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctanamide
CID 325960
3-[(8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanoyl)amino]-N,N,N-trimethylpropan-1-aminium
CID 3768926
N,N-diethyl-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanamide
CID 10415070
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-methyl-N-propyloctanamide
CID 87693338
3-[Fluoro(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)amino]propyl-trimethylazanium chloride
CID 88715255
N-(1,1-difluoroethyl)-N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 90213863
6-[Methyl-(2,2,2-trifluoroacetyl)amino]hexanoyl chloride
CID 121378944
N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methyloctanamide
CID 153781782
N-ethyl-N-(trifluoromethyl)octanamide
CID 166041281

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanamide?
The IUPAC name of 8-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanamide (CID 4047637) is 8-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanamide.
What is the SMILES notation for 8-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanamide?
The canonical SMILES for 8-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanamide is CCN(CC)C(=O)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 8-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanamide?
The InChIKey is YCBCWLZEBVHEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF14NO/c1-3-28(4-2)5(29)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(13,26)27/h3-4H2,1-2H3.
What are the key properties of 8-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanamide?
8-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanamide has a molecular weight of 485.64 g/mol, XLogP of 5.50, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanamide is sourced from PubChem (CID 4047637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).