6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoyl chloride

C9H13ClF3NO2 — CID 121378944

IUPAC6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoyl chloride
SMILESCN(CCCCCC(=O)Cl)C(=O)C(F)(F)F
InChIInChI=1S/C9H13ClF3NO2/c1-14(8(16)9(11,12)13)6-4-2-3-5-7(10)15/h2-6H2,1H3
InChIKeyQSLIYNDLOWHOMP-UHFFFAOYSA-N
MW259.65 g/mol
LogP2.33
Rot. Bonds6

About 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoyl chloride

6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoyl chloride (PubChem CID 121378944) has the molecular formula C9H13ClF3NO2 and a molecular weight of 259.65 g/mol. Its IUPAC name is 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoyl chloride.

Molecular Properties

Compound Name6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoyl chloride
PubChem CID121378944
Molecular FormulaC9H13ClF3NO2
Molecular Weight259.65 g/mol
Exact Mass259.06
IUPAC Name6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoyl chloride
SMILESCN(CCCCCC(=O)Cl)C(=O)C(F)(F)F
InChIInChI=1S/C9H13ClF3NO2/c1-14(8(16)9(11,12)13)6-4-2-3-5-7(10)15/h2-6H2,1H3
InChIKeyQSLIYNDLOWHOMP-UHFFFAOYSA-N
XLogP2.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.65
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(Trifluoroacetamido)hexanoyl chloride
CID 11436518
4-chloro-4,4-difluoro-N,N-dihexylbutanamide
CID 53662019
11-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide
CID 3515688
N-butyl-9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-methylnonanamide
CID 3534162
8-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctanamide
CID 4047637
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(2-methylpropyl)hexanamide
CID 4157925
N,N-di(butan-2-yl)-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
CID 4157926
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dipentylhexanamide
CID 4157927
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-dihexylhexanamide
CID 4157928
9-chloro-N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 4188028
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N,N-dipropylnonanamide
CID 4188029
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-dipropylundecanamide
CID 4384324

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoyl chloride?
The IUPAC name of 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoyl chloride (CID 121378944) is 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoyl chloride.
What is the SMILES notation for 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoyl chloride?
The canonical SMILES for 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoyl chloride is CN(CCCCCC(=O)Cl)C(=O)C(F)(F)F.
What is the InChIKey of 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoyl chloride?
The InChIKey is QSLIYNDLOWHOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClF3NO2/c1-14(8(16)9(11,12)13)6-4-2-3-5-7(10)15/h2-6H2,1H3.
What are the key properties of 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoyl chloride?
6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoyl chloride has a molecular weight of 259.65 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoyl chloride is sourced from PubChem (CID 121378944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).