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

C16H24F6N2O4 — CID 87279456

IUPAC1,2-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1CCC(N)(C2CC2)C(C2CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N2.2C2HF3O2/c13-10-5-6-12(14,9-3-4-9)11(7-10)8-1-2-8;2*3-2(4,5)1(6)7/h8-11H,1-7,13-14H2;2*(H,6,7)
InChIKeyJCVZOBYBNREUKY-UHFFFAOYSA-N
MW422.37 g/mol
LogP2.90
Rot. Bonds2

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

1,2-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87279456) has the molecular formula C16H24F6N2O4 and a molecular weight of 422.37 g/mol. Its IUPAC name is 1,2-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1,2-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID87279456
Molecular FormulaC16H24F6N2O4
Molecular Weight422.37 g/mol
Exact Mass422.16
IUPAC Name1,2-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1CCC(N)(C2CC2)C(C2CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N2.2C2HF3O2/c13-10-5-6-12(14,9-3-4-9)11(7-10)8-1-2-8;2*3-2(4,5)1(6)7/h8-11H,1-7,13-14H2;2*(H,6,7)
InChIKeyJCVZOBYBNREUKY-UHFFFAOYSA-N
XLogP2.90
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1,2-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) (CID 87279456) is 1,2-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1,2-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1,2-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) is NC1CCC(N)(C2CC2)C(C2CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1,2-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is JCVZOBYBNREUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.2C2HF3O2/c13-10-5-6-12(14,9-3-4-9)11(7-10)8-1-2-8;2*3-2(4,5)1(6)7/h8-11H,1-7,13-14H2;2*(H,6,7).
What are the key properties of 1,2-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)?
1,2-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 422.37 g/mol, XLogP of 2.90, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87279456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).