N,N-di(butan-2-yl)-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide

C14H18ClF10NO — CID 4157926

IUPACN,N-di(butan-2-yl)-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
SMILESCCC(C)N(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)C(C)CC
InChIInChI=1S/C14H18ClF10NO/c1-5-7(3)26(8(4)6-2)9(27)10(16,17)11(18,19)12(20,21)13(22,23)14(15,24)25/h7-8H,5-6H2,1-4H3
InChIKeyFVJSTDVPQPXYLM-UHFFFAOYSA-N
MW441.74 g/mol
LogP5.78
Rot. Bonds9

About N,N-di(butan-2-yl)-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide

N,N-di(butan-2-yl)-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide (PubChem CID 4157926) has the molecular formula C14H18ClF10NO and a molecular weight of 441.74 g/mol. Its IUPAC name is N,N-di(butan-2-yl)-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide.

Molecular Properties

Compound NameN,N-di(butan-2-yl)-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
PubChem CID4157926
Molecular FormulaC14H18ClF10NO
Molecular Weight441.74 g/mol
Exact Mass441.09
IUPAC NameN,N-di(butan-2-yl)-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide
SMILESCCC(C)N(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)C(C)CC
InChIInChI=1S/C14H18ClF10NO/c1-5-7(3)26(8(4)6-2)9(27)10(16,17)11(18,19)12(20,21)13(22,23)14(15,24)25/h7-8H,5-6H2,1-4H3
InChIKeyFVJSTDVPQPXYLM-UHFFFAOYSA-N
XLogP5.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.74
LogP ≤ 55.78
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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Frequently Asked Questions

What is the IUPAC name of N,N-di(butan-2-yl)-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide?
The IUPAC name of N,N-di(butan-2-yl)-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide (CID 4157926) is N,N-di(butan-2-yl)-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide.
What is the SMILES notation for N,N-di(butan-2-yl)-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide?
The canonical SMILES for N,N-di(butan-2-yl)-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide is CCC(C)N(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)C(C)CC.
What is the InChIKey of N,N-di(butan-2-yl)-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide?
The InChIKey is FVJSTDVPQPXYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF10NO/c1-5-7(3)26(8(4)6-2)9(27)10(16,17)11(18,19)12(20,21)13(22,23)14(15,24)25/h7-8H,5-6H2,1-4H3.
What are the key properties of N,N-di(butan-2-yl)-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide?
N,N-di(butan-2-yl)-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide has a molecular weight of 441.74 g/mol, XLogP of 5.78, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(butan-2-yl)-6-chloro-2,2,3,3,4,4,5,5,6,6-decafluorohexanamide is sourced from PubChem (CID 4157926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).