6-chloro-N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide

C11H13ClF10N2O — CID 2827671

IUPAC6-chloro-N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
SMILESCN(C)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C11H13ClF10N2O/c1-24(2)5-3-4-23-6(25)7(13,14)8(15,16)9(17,18)10(19,20)11(12,21)22/h3-5H2,1-2H3,(H,23,25)
InChIKeyASHDBHLEJLTLDS-UHFFFAOYSA-N
MW414.67 g/mol
LogP3.43
Rot. Bonds9

About 6-chloro-N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide

6-chloro-N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide (PubChem CID 2827671) has the molecular formula C11H13ClF10N2O and a molecular weight of 414.67 g/mol. Its IUPAC name is 6-chloro-N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide.

Molecular Properties

Compound Name6-chloro-N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
PubChem CID2827671
Molecular FormulaC11H13ClF10N2O
Molecular Weight414.67 g/mol
Exact Mass414.06
IUPAC Name6-chloro-N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
SMILESCN(C)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C11H13ClF10N2O/c1-24(2)5-3-4-23-6(25)7(13,14)8(15,16)9(17,18)10(19,20)11(12,21)22/h3-5H2,1-2H3,(H,23,25)
InChIKeyASHDBHLEJLTLDS-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.67
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide?
The IUPAC name of 6-chloro-N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide (CID 2827671) is 6-chloro-N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide.
What is the SMILES notation for 6-chloro-N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide?
The canonical SMILES for 6-chloro-N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide is CN(C)CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 6-chloro-N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide?
The InChIKey is ASHDBHLEJLTLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF10N2O/c1-24(2)5-3-4-23-6(25)7(13,14)8(15,16)9(17,18)10(19,20)11(12,21)22/h3-5H2,1-2H3,(H,23,25).
What are the key properties of 6-chloro-N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide?
6-chloro-N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide has a molecular weight of 414.67 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide is sourced from PubChem (CID 2827671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).