1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipropylcyclohexane-1-carboxamide

C13H14F11NO — CID 5008429

IUPAC1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipropylcyclohexane-1-carboxamide
SMILESCCCN(CCC)C(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13H14F11NO/c1-3-5-25(6-4-2)7(26)8(14)9(15,16)11(19,20)13(23,24)12(21,22)10(8,17)18/h3-6H2,1-2H3
InChIKeyUBNLVNUKVPSNDH-UHFFFAOYSA-N
MW409.24 g/mol
LogP4.53
Rot. Bonds5

About 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipropylcyclohexane-1-carboxamide

1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipropylcyclohexane-1-carboxamide (PubChem CID 5008429) has the molecular formula C13H14F11NO and a molecular weight of 409.24 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipropylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipropylcyclohexane-1-carboxamide
PubChem CID5008429
Molecular FormulaC13H14F11NO
Molecular Weight409.24 g/mol
Exact Mass409.09
IUPAC Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipropylcyclohexane-1-carboxamide
SMILESCCCN(CCC)C(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13H14F11NO/c1-3-5-25(6-4-2)7(26)8(14)9(15,16)11(19,20)13(23,24)12(21,22)10(8,17)18/h3-6H2,1-2H3
InChIKeyUBNLVNUKVPSNDH-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 54.53
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 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipropylcyclohexane-1-carboxamide?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipropylcyclohexane-1-carboxamide (CID 5008429) is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipropylcyclohexane-1-carboxamide.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipropylcyclohexane-1-carboxamide?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipropylcyclohexane-1-carboxamide is CCCN(CCC)C(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipropylcyclohexane-1-carboxamide?
The InChIKey is UBNLVNUKVPSNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F11NO/c1-3-5-25(6-4-2)7(26)8(14)9(15,16)11(19,20)13(23,24)12(21,22)10(8,17)18/h3-6H2,1-2H3.
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipropylcyclohexane-1-carboxamide?
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipropylcyclohexane-1-carboxamide has a molecular weight of 409.24 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N,N-dipropylcyclohexane-1-carboxamide is sourced from PubChem (CID 5008429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).