4-N,4-N-dimethylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)

C12H20F6N2O4 — CID 154578353

IUPAC4-N,4-N-dimethylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)C1CCC(N)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H18N2.2C2HF3O2/c1-10(2)8-5-3-7(9)4-6-8;2*3-2(4,5)1(6)7/h7-8H,3-6,9H2,1-2H3;2*(H,6,7)
InChIKeyJIPISPVWUSHGRN-UHFFFAOYSA-N
MW370.29 g/mol
LogP2.08
Rot. Bonds1

About 4-N,4-N-dimethylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)

4-N,4-N-dimethylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 154578353) has the molecular formula C12H20F6N2O4 and a molecular weight of 370.29 g/mol. Its IUPAC name is 4-N,4-N-dimethylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-N,4-N-dimethylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID154578353
Molecular FormulaC12H20F6N2O4
Molecular Weight370.29 g/mol
Exact Mass370.13
IUPAC Name4-N,4-N-dimethylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)C1CCC(N)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H18N2.2C2HF3O2/c1-10(2)8-5-3-7(9)4-6-8;2*3-2(4,5)1(6)7/h7-8H,3-6,9H2,1-2H3;2*(H,6,7)
InChIKeyJIPISPVWUSHGRN-UHFFFAOYSA-N
XLogP2.08
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 4-N,4-N-dimethylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) (CID 154578353) is 4-N,4-N-dimethylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-N,4-N-dimethylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-N,4-N-dimethylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) is CN(C)C1CCC(N)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 4-N,4-N-dimethylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is JIPISPVWUSHGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.2C2HF3O2/c1-10(2)8-5-3-7(9)4-6-8;2*3-2(4,5)1(6)7/h7-8H,3-6,9H2,1-2H3;2*(H,6,7).
What are the key properties of 4-N,4-N-dimethylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)?
4-N,4-N-dimethylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 370.29 g/mol, XLogP of 2.08, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 154578353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).