N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]cyclohexanamine

C11H19F4NO — CID 55093006

IUPACN-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]cyclohexanamine
SMILESFC(F)C(F)(F)COCCNC1CCCCC1
InChIInChI=1S/C11H19F4NO/c12-10(13)11(14,15)8-17-7-6-16-9-4-2-1-3-5-9/h9-10,16H,1-8H2
InChIKeyZFPJTXOKUWHVBJ-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.83
Rot. Bonds7

About N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]cyclohexanamine

N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]cyclohexanamine (PubChem CID 55093006) has the molecular formula C11H19F4NO and a molecular weight of 257.27 g/mol. Its IUPAC name is N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]cyclohexanamine
PubChem CID55093006
Molecular FormulaC11H19F4NO
Molecular Weight257.27 g/mol
Exact Mass257.14
IUPAC NameN-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]cyclohexanamine
SMILESFC(F)C(F)(F)COCCNC1CCCCC1
InChIInChI=1S/C11H19F4NO/c12-10(13)11(14,15)8-17-7-6-16-9-4-2-1-3-5-9/h9-10,16H,1-8H2
InChIKeyZFPJTXOKUWHVBJ-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]cyclohexanamine (CID 55093006) is N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]cyclohexanamine is FC(F)C(F)(F)COCCNC1CCCCC1.
What is the InChIKey of N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]cyclohexanamine?
The InChIKey is ZFPJTXOKUWHVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4NO/c12-10(13)11(14,15)8-17-7-6-16-9-4-2-1-3-5-9/h9-10,16H,1-8H2.
What are the key properties of N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]cyclohexanamine?
N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]cyclohexanamine has a molecular weight of 257.27 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]cyclohexanamine is sourced from PubChem (CID 55093006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).