N,N-diethyl-3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-amine

C11H10F11N — CID 102446676

IUPACN,N-diethyl-3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-amine
SMILESCCN(CC)C1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H10F11N/c1-3-23(4-2)6-5(9(16,17)18)7(12,13)10(19,20)11(21,22)8(6,14)15/h3-4H2,1-2H3
InChIKeyHDQGPOUIJDWQHI-UHFFFAOYSA-N
MW365.19 g/mol
LogP4.70
Rot. Bonds3

About N,N-diethyl-3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-amine

N,N-diethyl-3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-amine (PubChem CID 102446676) has the molecular formula C11H10F11N and a molecular weight of 365.19 g/mol. Its IUPAC name is N,N-diethyl-3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-amine
PubChem CID102446676
Molecular FormulaC11H10F11N
Molecular Weight365.19 g/mol
Exact Mass365.06
IUPAC NameN,N-diethyl-3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-amine
SMILESCCN(CC)C1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H10F11N/c1-3-23(4-2)6-5(9(16,17)18)7(12,13)10(19,20)11(21,22)8(6,14)15/h3-4H2,1-2H3
InChIKeyHDQGPOUIJDWQHI-UHFFFAOYSA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 54.70
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 N,N-diethyl-3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-amine?
The IUPAC name of N,N-diethyl-3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-amine (CID 102446676) is N,N-diethyl-3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-amine.
What is the SMILES notation for N,N-diethyl-3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-amine?
The canonical SMILES for N,N-diethyl-3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-amine is CCN(CC)C1=C(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of N,N-diethyl-3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-amine?
The InChIKey is HDQGPOUIJDWQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F11N/c1-3-23(4-2)6-5(9(16,17)18)7(12,13)10(19,20)11(21,22)8(6,14)15/h3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-amine?
N,N-diethyl-3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-amine has a molecular weight of 365.19 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,3,4,4,5,5,6,6-octafluoro-2-(trifluoromethyl)cyclohexen-1-amine is sourced from PubChem (CID 102446676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).