cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid

C8H15F3N2O2 — CID 68531631

IUPACcyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
SMILESNC1CCC(N)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2.C2HF3O2/c7-5-1-2-6(8)4-3-5;3-2(4,5)1(6)7/h5-6H,1-4,7-8H2;(H,6,7)
InChIKeyQFPKNVPPKGLACE-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.85
Rot. Bonds

About cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid

cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid (PubChem CID 68531631) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namecyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
PubChem CID68531631
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Namecyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
SMILESNC1CCC(N)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2.C2HF3O2/c7-5-1-2-6(8)4-3-5;3-2(4,5)1(6)7/h5-6H,1-4,7-8H2;(H,6,7)
InChIKeyQFPKNVPPKGLACE-UHFFFAOYSA-N
XLogP0.85
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropanamine;bis(2,2,2-trifluoroacetic acid)
CID 162300046
4-(methylsulfonylmethyl)cyclohexan-1-amine;2,2,2-trifluoroacetic acid
CID 71062055
(4-aminocyclohexyl) methanesulfonate;2,2,2-trifluoroacetic acid
CID 159364072
bicyclo[2.2.2]octane;bis(2,2,2-trifluoroacetic acid)
CID 87462470
(3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 172762354
carbonic acid;cyclopropanamine
CID 70000861
1-cyclopropylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 175545583
(3S)-3-aminocyclopentan-1-one;2,2,2-trifluoroacetic acid
CID 169448459
1-(4-aminocyclohexyl)-2-methylsulfonylethanol;2,2,2-trifluoroacetic acid
CID 138688262
4-(1,2,4-triazol-1-yl)cyclohexan-1-amine;2,2,2-trifluoroacetic acid
CID 86717427
oxan-3-amine;2,2,2-trifluoroacetic acid
CID 78048070
1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 122687416

Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid?
The IUPAC name of cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid (CID 68531631) is cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid is NC1CCC(N)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid?
The InChIKey is QFPKNVPPKGLACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C2HF3O2/c7-5-1-2-6(8)4-3-5;3-2(4,5)1(6)7/h5-6H,1-4,7-8H2;(H,6,7).
What are the key properties of cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid?
cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid has a molecular weight of 228.21 g/mol, XLogP of 0.85, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68531631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).