9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N,N-dipropylnonanamide

C15H14ClF16NO — CID 4188029

IUPAC9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N,N-dipropylnonanamide
SMILESCCCN(CCC)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)Cl
InChIInChI=1S/C15H14ClF16NO/c1-3-5-33(6-4-2)7(34)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(16,31)32/h3-6H2,1-2H3
InChIKeyRBMJBKCIDQYFMR-UHFFFAOYSA-N
MW563.70 g/mol
LogP6.91
Rot. Bonds12

About 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N,N-dipropylnonanamide

9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N,N-dipropylnonanamide (PubChem CID 4188029) has the molecular formula C15H14ClF16NO and a molecular weight of 563.70 g/mol. Its IUPAC name is 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N,N-dipropylnonanamide.

Molecular Properties

Compound Name9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N,N-dipropylnonanamide
PubChem CID4188029
Molecular FormulaC15H14ClF16NO
Molecular Weight563.70 g/mol
Exact Mass563.05
IUPAC Name9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N,N-dipropylnonanamide
SMILESCCCN(CCC)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)Cl
InChIInChI=1S/C15H14ClF16NO/c1-3-5-33(6-4-2)7(34)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(16,31)32/h3-6H2,1-2H3
InChIKeyRBMJBKCIDQYFMR-UHFFFAOYSA-N
XLogP6.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 56.91
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 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N,N-dipropylnonanamide?
The IUPAC name of 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N,N-dipropylnonanamide (CID 4188029) is 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N,N-dipropylnonanamide.
What is the SMILES notation for 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N,N-dipropylnonanamide?
The canonical SMILES for 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N,N-dipropylnonanamide is CCCN(CCC)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)Cl.
What is the InChIKey of 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N,N-dipropylnonanamide?
The InChIKey is RBMJBKCIDQYFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF16NO/c1-3-5-33(6-4-2)7(34)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(16,31)32/h3-6H2,1-2H3.
What are the key properties of 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N,N-dipropylnonanamide?
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N,N-dipropylnonanamide has a molecular weight of 563.70 g/mol, XLogP of 6.91, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N,N-dipropylnonanamide is sourced from PubChem (CID 4188029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).