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

C11H23F3N2 — CID 88589055

IUPAC3-N-ethyl-3-N-(4,4,4-trifluoro-3-methylbutan-2-yl)butane-1,3-diamine
SMILESCCN(C(C)CCN)C(C)C(C)C(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-5-16(8(2)6-7-15)10(4)9(3)11(12,13)14/h8-10H,5-7,15H2,1-4H3
InChIKeyGMFOLNSBXXJWOK-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.63
Rot. Bonds6

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

3-N-ethyl-3-N-(4,4,4-trifluoro-3-methylbutan-2-yl)butane-1,3-diamine (PubChem CID 88589055) has the molecular formula C11H23F3N2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(4,4,4-trifluoro-3-methylbutan-2-yl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(4,4,4-trifluoro-3-methylbutan-2-yl)butane-1,3-diamine
PubChem CID88589055
Molecular FormulaC11H23F3N2
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC Name3-N-ethyl-3-N-(4,4,4-trifluoro-3-methylbutan-2-yl)butane-1,3-diamine
SMILESCCN(C(C)CCN)C(C)C(C)C(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-5-16(8(2)6-7-15)10(4)9(3)11(12,13)14/h8-10H,5-7,15H2,1-4H3
InChIKeyGMFOLNSBXXJWOK-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(4,4,4-trifluoro-3-methylbutan-2-yl)butane-1,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-(4,4,4-trifluoro-3-methylbutan-2-yl)butane-1,3-diamine (CID 88589055) is 3-N-ethyl-3-N-(4,4,4-trifluoro-3-methylbutan-2-yl)butane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(4,4,4-trifluoro-3-methylbutan-2-yl)butane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(4,4,4-trifluoro-3-methylbutan-2-yl)butane-1,3-diamine is CCN(C(C)CCN)C(C)C(C)C(F)(F)F.
What is the InChIKey of 3-N-ethyl-3-N-(4,4,4-trifluoro-3-methylbutan-2-yl)butane-1,3-diamine?
The InChIKey is GMFOLNSBXXJWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2/c1-5-16(8(2)6-7-15)10(4)9(3)11(12,13)14/h8-10H,5-7,15H2,1-4H3.
What are the key properties of 3-N-ethyl-3-N-(4,4,4-trifluoro-3-methylbutan-2-yl)butane-1,3-diamine?
3-N-ethyl-3-N-(4,4,4-trifluoro-3-methylbutan-2-yl)butane-1,3-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(4,4,4-trifluoro-3-methylbutan-2-yl)butane-1,3-diamine is sourced from PubChem (CID 88589055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).