N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine

C8H17F3N2O — CID 103208056

IUPACN-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCNCCNCCCOCC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-12-4-5-13-3-2-6-14-7-8(9,10)11/h12-13H,2-7H2,1H3
InChIKeyTXDNEAIGXAKEHB-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.76
Rot. Bonds8

About N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine

N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (PubChem CID 103208056) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
PubChem CID103208056
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC NameN-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
SMILESCNCCNCCCOCC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-12-4-5-13-3-2-6-14-7-8(9,10)11/h12-13H,2-7H2,1H3
InChIKeyTXDNEAIGXAKEHB-UHFFFAOYSA-N
XLogP0.76
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 103208163
N'-(3-ethoxypropyl)-N-methylethane-1,2-diamine
CID 62560492
N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956013
N-(2-methoxyethyl)-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 103208171
N'-(2-methoxyethyl)-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 55126815
3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]but-2-en-1-amine
CID 106546970
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039
N'-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 54808435
N-[2-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491191
4-chloro-2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 106140442
2-methyl-3-methylsulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 63966064

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine (CID 103208056) is N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is CNCCNCCCOCC(F)(F)F.
What is the InChIKey of N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
The InChIKey is TXDNEAIGXAKEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-12-4-5-13-3-2-6-14-7-8(9,10)11/h12-13H,2-7H2,1H3.
What are the key properties of N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine?
N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine has a molecular weight of 214.23 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine is sourced from PubChem (CID 103208056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).