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

C10H21F3N2O2 — CID 43753182

IUPAC4,4,4-trifluoro-3-N,3-N-bis(2-methoxyethyl)butane-1,3-diamine
SMILESCOCCN(CCOC)C(CCN)C(F)(F)F
InChIInChI=1S/C10H21F3N2O2/c1-16-7-5-15(6-8-17-2)9(3-4-14)10(11,12)13/h9H,3-8,14H2,1-2H3
InChIKeyKNLFBJYMYVFCJU-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.86
Rot. Bonds9

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

4,4,4-trifluoro-3-N,3-N-bis(2-methoxyethyl)butane-1,3-diamine (PubChem CID 43753182) has the molecular formula C10H21F3N2O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-N,3-N-bis(2-methoxyethyl)butane-1,3-diamine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-N,3-N-bis(2-methoxyethyl)butane-1,3-diamine
PubChem CID43753182
Molecular FormulaC10H21F3N2O2
Molecular Weight258.28 g/mol
Exact Mass258.16
IUPAC Name4,4,4-trifluoro-3-N,3-N-bis(2-methoxyethyl)butane-1,3-diamine
SMILESCOCCN(CCOC)C(CCN)C(F)(F)F
InChIInChI=1S/C10H21F3N2O2/c1-16-7-5-15(6-8-17-2)9(3-4-14)10(11,12)13/h9H,3-8,14H2,1-2H3
InChIKeyKNLFBJYMYVFCJU-UHFFFAOYSA-N
XLogP0.86
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-N,3-N-bis(2-methoxyethyl)butane-1,3-diamine?
The IUPAC name of 4,4,4-trifluoro-3-N,3-N-bis(2-methoxyethyl)butane-1,3-diamine (CID 43753182) is 4,4,4-trifluoro-3-N,3-N-bis(2-methoxyethyl)butane-1,3-diamine.
What is the SMILES notation for 4,4,4-trifluoro-3-N,3-N-bis(2-methoxyethyl)butane-1,3-diamine?
The canonical SMILES for 4,4,4-trifluoro-3-N,3-N-bis(2-methoxyethyl)butane-1,3-diamine is COCCN(CCOC)C(CCN)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-N,3-N-bis(2-methoxyethyl)butane-1,3-diamine?
The InChIKey is KNLFBJYMYVFCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O2/c1-16-7-5-15(6-8-17-2)9(3-4-14)10(11,12)13/h9H,3-8,14H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-3-N,3-N-bis(2-methoxyethyl)butane-1,3-diamine?
4,4,4-trifluoro-3-N,3-N-bis(2-methoxyethyl)butane-1,3-diamine has a molecular weight of 258.28 g/mol, XLogP of 0.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-N,3-N-bis(2-methoxyethyl)butane-1,3-diamine is sourced from PubChem (CID 43753182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).