3-N-ethyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine

C9H19F3N2O — CID 61444704

IUPAC3-N-ethyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine
SMILESCCN(CCOC)C(CCN)C(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-3-14(6-7-15-2)8(4-5-13)9(10,11)12/h8H,3-7,13H2,1-2H3
InChIKeyXMIKSLNFKCHDBK-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.23
Rot. Bonds7

About 3-N-ethyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine

3-N-ethyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine (PubChem CID 61444704) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 3-N-ethyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine
PubChem CID61444704
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name3-N-ethyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine
SMILESCCN(CCOC)C(CCN)C(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-3-14(6-7-15-2)8(4-5-13)9(10,11)12/h8H,3-7,13H2,1-2H3
InChIKeyXMIKSLNFKCHDBK-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-ethyl-4-N-(2-methoxyethyl)pentane-1,4-diamine
CID 62436479
2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]acetamide
CID 55002752
3-N-ethyl-3-N-(2-methoxyethyl)butane-2,3-diamine
CID 61448111
3-N-(2-ethoxyethyl)-3-N-ethylbutane-1,3-diamine
CID 63698411
N'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine
CID 103366264
2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine
CID 61448149
4,4,4-trifluoro-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine
CID 55001955
4-N,4-N-diethyl-5-methoxypentane-1,4-diamine
CID 103391611
2-[[ethyl(2-methoxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370643
2-(2,2-dimethylpropyl)-N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 107473280
4,4,4-trifluoro-3-methylbutan-1-amine
CID 10464414
3-amino-N-ethyl-N-(2-methoxyethyl)propanamide
CID 61446601

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine?
The IUPAC name of 3-N-ethyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine (CID 61444704) is 3-N-ethyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine is CCN(CCOC)C(CCN)C(F)(F)F.
What is the InChIKey of 3-N-ethyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine?
The InChIKey is XMIKSLNFKCHDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-3-14(6-7-15-2)8(4-5-13)9(10,11)12/h8H,3-7,13H2,1-2H3.
What are the key properties of 3-N-ethyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine?
3-N-ethyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine has a molecular weight of 228.26 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-4,4,4-trifluoro-3-N-(2-methoxyethyl)butane-1,3-diamine is sourced from PubChem (CID 61444704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).