4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine

C12H25F3N2O — CID 55004685

IUPAC4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine
SMILESCCC(CC)N(CCOC)C(CCN)C(F)(F)F
InChIInChI=1S/C12H25F3N2O/c1-4-10(5-2)17(8-9-18-3)11(6-7-16)12(13,14)15/h10-11H,4-9,16H2,1-3H3
InChIKeyFZICDQMMHYRXFO-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.40
Rot. Bonds9

About 4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine

4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine (PubChem CID 55004685) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine
PubChem CID55004685
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC Name4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine
SMILESCCC(CC)N(CCOC)C(CCN)C(F)(F)F
InChIInChI=1S/C12H25F3N2O/c1-4-10(5-2)17(8-9-18-3)11(6-7-16)12(13,14)15/h10-11H,4-9,16H2,1-3H3
InChIKeyFZICDQMMHYRXFO-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine?
The IUPAC name of 4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine (CID 55004685) is 4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine.
What is the SMILES notation for 4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine?
The canonical SMILES for 4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine is CCC(CC)N(CCOC)C(CCN)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine?
The InChIKey is FZICDQMMHYRXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O/c1-4-10(5-2)17(8-9-18-3)11(6-7-16)12(13,14)15/h10-11H,4-9,16H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine?
4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-N-(2-methoxyethyl)-3-N-pentan-3-ylbutane-1,3-diamine is sourced from PubChem (CID 55004685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).