1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-prop-2-enylcyclohexane-1-carboxamide

C10H6F11NO — CID 4643854

IUPAC1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-prop-2-enylcyclohexane-1-carboxamide
SMILESC=CCNC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H6F11NO/c1-2-3-22-4(23)5(11)6(12,13)8(16,17)10(20,21)9(18,19)7(5,14)15/h2H,1,3H2,(H,22,23)
InChIKeyXGJPOZIDJSPHDS-UHFFFAOYSA-N
MW365.14 g/mol
LogP3.19
Rot. Bonds3

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

1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-prop-2-enylcyclohexane-1-carboxamide (PubChem CID 4643854) has the molecular formula C10H6F11NO and a molecular weight of 365.14 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-prop-2-enylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-prop-2-enylcyclohexane-1-carboxamide
PubChem CID4643854
Molecular FormulaC10H6F11NO
Molecular Weight365.14 g/mol
Exact Mass365.03
IUPAC Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-prop-2-enylcyclohexane-1-carboxamide
SMILESC=CCNC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H6F11NO/c1-2-3-22-4(23)5(11)6(12,13)8(16,17)10(20,21)9(18,19)7(5,14)15/h2H,1,3H2,(H,22,23)
InChIKeyXGJPOZIDJSPHDS-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.14
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-prop-2-enylcyclohexane-1-carboxamide?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-prop-2-enylcyclohexane-1-carboxamide (CID 4643854) is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-prop-2-enylcyclohexane-1-carboxamide.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-prop-2-enylcyclohexane-1-carboxamide?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-prop-2-enylcyclohexane-1-carboxamide is C=CCNC(=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-prop-2-enylcyclohexane-1-carboxamide?
The InChIKey is XGJPOZIDJSPHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F11NO/c1-2-3-22-4(23)5(11)6(12,13)8(16,17)10(20,21)9(18,19)7(5,14)15/h2H,1,3H2,(H,22,23).
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-prop-2-enylcyclohexane-1-carboxamide?
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-prop-2-enylcyclohexane-1-carboxamide has a molecular weight of 365.14 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 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-prop-2-enylcyclohexane-1-carboxamide is sourced from PubChem (CID 4643854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).