2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-N-propylbutanamide

C14H20F9NO — CID 21020690

IUPAC2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-N-propylbutanamide
SMILESCCCN(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)C(C)CC
InChIInChI=1S/C14H20F9NO/c1-4-7-24(10(25)9(3)5-2)8-6-11(15,16)12(17,18)13(19,20)14(21,22)23/h9H,4-8H2,1-3H3
InChIKeyKAWNZXRXBYDWSV-UHFFFAOYSA-N
MW389.30 g/mol
LogP5.13
Rot. Bonds9

About 2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-N-propylbutanamide

2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-N-propylbutanamide (PubChem CID 21020690) has the molecular formula C14H20F9NO and a molecular weight of 389.30 g/mol. Its IUPAC name is 2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-N-propylbutanamide.

Molecular Properties

Compound Name2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-N-propylbutanamide
PubChem CID21020690
Molecular FormulaC14H20F9NO
Molecular Weight389.30 g/mol
Exact Mass389.14
IUPAC Name2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-N-propylbutanamide
SMILESCCCN(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)C(C)CC
InChIInChI=1S/C14H20F9NO/c1-4-7-24(10(25)9(3)5-2)8-6-11(15,16)12(17,18)13(19,20)14(21,22)23/h9H,4-8H2,1-3H3
InChIKeyKAWNZXRXBYDWSV-UHFFFAOYSA-N
XLogP5.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.30
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-N-propylbutanamide?
The IUPAC name of 2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-N-propylbutanamide (CID 21020690) is 2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-N-propylbutanamide.
What is the SMILES notation for 2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-N-propylbutanamide?
The canonical SMILES for 2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-N-propylbutanamide is CCCN(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)C(C)CC.
What is the InChIKey of 2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-N-propylbutanamide?
The InChIKey is KAWNZXRXBYDWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F9NO/c1-4-7-24(10(25)9(3)5-2)8-6-11(15,16)12(17,18)13(19,20)14(21,22)23/h9H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-N-propylbutanamide?
2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-N-propylbutanamide has a molecular weight of 389.30 g/mol, XLogP of 5.13, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-N-propylbutanamide is sourced from PubChem (CID 21020690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).