N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-N-methyl-2-morpholin-4-ylethanamine

C14H21F7N2O — CID 160862261

IUPACN-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-N-methyl-2-morpholin-4-ylethanamine
SMILESCN(CCN1CCOCC1)CC1(F)CC(F)(F)C(F)(F)C(F)(F)C1
InChIInChI=1S/C14H21F7N2O/c1-22(2-3-23-4-6-24-7-5-23)10-11(15)8-12(16,17)14(20,21)13(18,19)9-11/h2-10H2,1H3
InChIKeyZANRUEPEHZSXKW-UHFFFAOYSA-N
MW366.32 g/mol
LogP2.66
Rot. Bonds5

About N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-N-methyl-2-morpholin-4-ylethanamine

N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-N-methyl-2-morpholin-4-ylethanamine (PubChem CID 160862261) has the molecular formula C14H21F7N2O and a molecular weight of 366.32 g/mol. Its IUPAC name is N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-N-methyl-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-N-methyl-2-morpholin-4-ylethanamine
PubChem CID160862261
Molecular FormulaC14H21F7N2O
Molecular Weight366.32 g/mol
Exact Mass366.15
IUPAC NameN-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-N-methyl-2-morpholin-4-ylethanamine
SMILESCN(CCN1CCOCC1)CC1(F)CC(F)(F)C(F)(F)C(F)(F)C1
InChIInChI=1S/C14H21F7N2O/c1-22(2-3-23-4-6-24-7-5-23)10-11(15)8-12(16,17)14(20,21)13(18,19)9-11/h2-10H2,1H3
InChIKeyZANRUEPEHZSXKW-UHFFFAOYSA-N
XLogP2.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-N-methyl-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-N-methyl-2-morpholin-4-ylethanamine (CID 160862261) is N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-N-methyl-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-N-methyl-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-N-methyl-2-morpholin-4-ylethanamine is CN(CCN1CCOCC1)CC1(F)CC(F)(F)C(F)(F)C(F)(F)C1.
What is the InChIKey of N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-N-methyl-2-morpholin-4-ylethanamine?
The InChIKey is ZANRUEPEHZSXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F7N2O/c1-22(2-3-23-4-6-24-7-5-23)10-11(15)8-12(16,17)14(20,21)13(18,19)9-11/h2-10H2,1H3.
What are the key properties of N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-N-methyl-2-morpholin-4-ylethanamine?
N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-N-methyl-2-morpholin-4-ylethanamine has a molecular weight of 366.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-N-methyl-2-morpholin-4-ylethanamine is sourced from PubChem (CID 160862261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).