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

C13H19F7N2O — CID 160816880

IUPACN-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-2-morpholin-4-ylethanamine
SMILESFC1(CNCCN2CCOCC2)CC(F)(F)C(F)(F)C(F)(F)C1
InChIInChI=1S/C13H19F7N2O/c14-10(9-21-1-2-22-3-5-23-6-4-22)7-11(15,16)13(19,20)12(17,18)8-10/h21H,1-9H2
InChIKeyGIFKYEVEZVGGRU-UHFFFAOYSA-N
MW352.29 g/mol
LogP2.32
Rot. Bonds5

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

N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 160816880) has the molecular formula C13H19F7N2O and a molecular weight of 352.29 g/mol. Its IUPAC name is N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-2-morpholin-4-ylethanamine
PubChem CID160816880
Molecular FormulaC13H19F7N2O
Molecular Weight352.29 g/mol
Exact Mass352.14
IUPAC NameN-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-2-morpholin-4-ylethanamine
SMILESFC1(CNCCN2CCOCC2)CC(F)(F)C(F)(F)C(F)(F)C1
InChIInChI=1S/C13H19F7N2O/c14-10(9-21-1-2-22-3-5-23-6-4-22)7-11(15,16)13(19,20)12(17,18)8-10/h21H,1-9H2
InChIKeyGIFKYEVEZVGGRU-UHFFFAOYSA-N
XLogP2.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4,4-Difluoro-1-morpholin-4-ylcyclohexyl)methanamine
CID 117751223
(3S)-3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)cyclohexyl]methyl]piperazine;hydrochloride
CID 156774284
(3S)-1-[(4,4-difluorocyclohexyl)methyl]-3-(difluoromethoxymethyl)piperazine;hydrochloride
CID 156774356
2,2,4,4,5,5,5-heptafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 159783182
2,2,4,4,5,5,6,6,6-nonafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine
CID 159783183
2,2,4,4,5,5,7,7,7-nonafluoro-N-(2-morpholin-4-ylethyl)heptan-1-amine
CID 159783184
2,2,4,4,5,5,8,8,8-nonafluoro-N-(2-morpholin-4-ylethyl)octan-1-amine
CID 159783185
2,2,4,4,5,5,8,8,9,9,9-undecafluoro-N-(2-morpholin-4-ylethyl)nonan-1-amine
CID 159783186
2,2,4,4,5,5,8,8,10,10,10-undecafluoro-N-(2-morpholin-4-ylethyl)decan-1-amine
CID 159783187
2,2,4,4,5,5-hexafluoro-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 160816878
4,4,5,5,6,6-hexafluoro-N-(2-morpholin-4-ylethyl)hexan-1-amine
CID 160816879
2,2,4,4,5,5,7,7-octafluoro-N-(2-morpholin-4-ylethyl)heptan-1-amine
CID 160816881

Frequently Asked Questions

What is the IUPAC name of N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-2-morpholin-4-ylethanamine (CID 160816880) is N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-2-morpholin-4-ylethanamine is FC1(CNCCN2CCOCC2)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]-2-morpholin-4-ylethanamine?
The InChIKey is GIFKYEVEZVGGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F7N2O/c14-10(9-21-1-2-22-3-5-23-6-4-22)7-11(15,16)13(19,20)12(17,18)8-10/h21H,1-9H2.
What are the key properties of N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-2-morpholin-4-ylethanamine?
N-[(1,3,3,4,4,5,5-heptafluorocyclohexyl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 352.29 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 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]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 160816880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).