N'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-N-(trifluoromethyl)ethane-1,2-diamine

C15H20F14N2O — CID 145366179

IUPACN'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-N-(trifluoromethyl)ethane-1,2-diamine
SMILESCCN(CCNC(F)(F)F)C(C(C(C)OC(C)C(C(C(F)(F)F)F)(F)F)(F)F)C(F)(F)F
InChIInChI=1S/C15H20F14N2O/c1-4-31(6-5-30-15(27,28)29)10(14(24,25)26)12(19,20)8(3)32-7(2)11(17,18)9(16)13(21,22)23/h7-10,30H,4-6H2,1-3H3
InChIKeySSRGAFYYEFZHKH-UHFFFAOYSA-N
MW510.31 g/mol
LogP6.20
Rot. Bonds11

About N'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-N-(trifluoromethyl)ethane-1,2-diamine

N'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-N-(trifluoromethyl)ethane-1,2-diamine (PubChem CID 145366179) has the molecular formula C15H20F14N2O and a molecular weight of 510.31 g/mol. Its IUPAC name is N'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-N-(trifluoromethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-N-(trifluoromethyl)ethane-1,2-diamine
PubChem CID145366179
Molecular FormulaC15H20F14N2O
Molecular Weight510.31 g/mol
Exact Mass510.14
IUPAC NameN'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-N-(trifluoromethyl)ethane-1,2-diamine
SMILESCCN(CCNC(F)(F)F)C(C(C(C)OC(C)C(C(C(F)(F)F)F)(F)F)(F)F)C(F)(F)F
InChIInChI=1S/C15H20F14N2O/c1-4-31(6-5-30-15(27,28)29)10(14(24,25)26)12(19,20)8(3)32-7(2)11(17,18)9(16)13(21,22)23/h7-10,30H,4-6H2,1-3H3
InChIKeySSRGAFYYEFZHKH-UHFFFAOYSA-N
XLogP6.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms32
Complexity574

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500510.31
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-N-(trifluoromethyl)ethane-1,2-diamine with MolForge

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Related Compounds

N'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-N-(trifluoromethyl)propane-1,3-diamine
CID 145366174
N'-ethyl-N-propan-2-yl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 54986284
N'-methyl-N-propan-2-yl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 55002663
2-(4-ethoxypiperidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55087654
2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55087800
1-N-(3-methoxypropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55087948
N'-methyl-N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 55097809
N-(oxan-4-yl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55179567
N-(oxan-4-yl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55179568
2-(4-Ethoxypiperidin-1-yl)-3,3,3-trifluoropropan-1-amine
CID 61219555
N',N'-di(propan-2-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 61491262
1-N,1-N-diethyl-4-N-[3-(2,2,2-trifluoroethoxy)propyl]pentane-1,4-diamine
CID 61491300

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-N-(trifluoromethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-N-(trifluoromethyl)ethane-1,2-diamine (CID 145366179) is N'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-N-(trifluoromethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-N-(trifluoromethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-N-(trifluoromethyl)ethane-1,2-diamine is CCN(CCNC(F)(F)F)C(C(C(C)OC(C)C(C(C(F)(F)F)F)(F)F)(F)F)C(F)(F)F.
What is the InChIKey of N'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-N-(trifluoromethyl)ethane-1,2-diamine?
The InChIKey is SSRGAFYYEFZHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F14N2O/c1-4-31(6-5-30-15(27,28)29)10(14(24,25)26)12(19,20)8(3)32-7(2)11(17,18)9(16)13(21,22)23/h7-10,30H,4-6H2,1-3H3.
What are the key properties of N'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-N-(trifluoromethyl)ethane-1,2-diamine?
N'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-N-(trifluoromethyl)ethane-1,2-diamine has a molecular weight of 510.31 g/mol, XLogP of 6.20, 11 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentan-2-yl]-N-(trifluoromethyl)ethane-1,2-diamine is sourced from PubChem (CID 145366179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).