2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid)

C9H16F6N2O4 — CID 171930864

IUPAC2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(N)C(C)(C)N.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C5H14N2.2C2HF3O2/c1-4(6)5(2,3)7;2*3-2(4,5)1(6)7/h4H,6-7H2,1-3H3;2*(H,6,7)
InChIKeyKMVHEONXEVXVTA-UHFFFAOYSA-N
MW330.23 g/mol
LogP1.34
Rot. Bonds1

About 2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid)

2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171930864) has the molecular formula C9H16F6N2O4 and a molecular weight of 330.23 g/mol. Its IUPAC name is 2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID171930864
Molecular FormulaC9H16F6N2O4
Molecular Weight330.23 g/mol
Exact Mass330.10
IUPAC Name2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(N)C(C)(C)N.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C5H14N2.2C2HF3O2/c1-4(6)5(2,3)7;2*3-2(4,5)1(6)7/h4H,6-7H2,1-3H3;2*(H,6,7)
InChIKeyKMVHEONXEVXVTA-UHFFFAOYSA-N
XLogP1.34
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide
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(2S,3S)-2-amino-3-methylhex-5-en-3-ol;2,2,2-trifluoroacetic acid
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(2R)-2-aminobutanamide;2,2,2-trifluoroacetic acid
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CID 22140680
methyl 2-methylpropanoate;2,2,2-trifluoroacetic acid
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bis(propan-2-one);2,2,2-trifluoroacetic acid
CID 175331855
acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 87799840
acetic acid;tris(2,2,2-trifluoroacetic acid)
CID 175705665
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543

Frequently Asked Questions

What is the IUPAC name of 2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid) (CID 171930864) is 2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid) is CC(N)C(C)(C)N.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is KMVHEONXEVXVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.2C2HF3O2/c1-4(6)5(2,3)7;2*3-2(4,5)1(6)7/h4H,6-7H2,1-3H3;2*(H,6,7).
What are the key properties of 2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid)?
2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 330.23 g/mol, XLogP of 1.34, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171930864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).