4-morpholin-4-ylcyclohexan-1-amine;bis(2,2,2-trifluoroacetic acid)

C14H22F6N2O5 — CID 87279421

IUPAC4-morpholin-4-ylcyclohexan-1-amine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1CCC(N2CCOCC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2O.2C2HF3O2/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;2*3-2(4,5)1(6)7/h9-10H,1-8,11H2;2*(H,6,7)
InChIKeyJUQYPIQBSFLRJX-UHFFFAOYSA-N
MW412.33 g/mol
LogP1.86
Rot. Bonds1

About 4-morpholin-4-ylcyclohexan-1-amine;bis(2,2,2-trifluoroacetic acid)

4-morpholin-4-ylcyclohexan-1-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87279421) has the molecular formula C14H22F6N2O5 and a molecular weight of 412.33 g/mol. Its IUPAC name is 4-morpholin-4-ylcyclohexan-1-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-morpholin-4-ylcyclohexan-1-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID87279421
Molecular FormulaC14H22F6N2O5
Molecular Weight412.33 g/mol
Exact Mass412.14
IUPAC Name4-morpholin-4-ylcyclohexan-1-amine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1CCC(N2CCOCC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2O.2C2HF3O2/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;2*3-2(4,5)1(6)7/h9-10H,1-8,11H2;2*(H,6,7)
InChIKeyJUQYPIQBSFLRJX-UHFFFAOYSA-N
XLogP1.86
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.33
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylcyclohexan-1-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 4-morpholin-4-ylcyclohexan-1-amine;bis(2,2,2-trifluoroacetic acid) (CID 87279421) is 4-morpholin-4-ylcyclohexan-1-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-morpholin-4-ylcyclohexan-1-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-morpholin-4-ylcyclohexan-1-amine;bis(2,2,2-trifluoroacetic acid) is NC1CCC(N2CCOCC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 4-morpholin-4-ylcyclohexan-1-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is JUQYPIQBSFLRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.2C2HF3O2/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;2*3-2(4,5)1(6)7/h9-10H,1-8,11H2;2*(H,6,7).
What are the key properties of 4-morpholin-4-ylcyclohexan-1-amine;bis(2,2,2-trifluoroacetic acid)?
4-morpholin-4-ylcyclohexan-1-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 412.33 g/mol, XLogP of 1.86, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylcyclohexan-1-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87279421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).