N,N-dimethylcyclohexanamine;2,2,2-trifluoroacetic acid

C10H18F3NO2 — CID 22623595

IUPACN,N-dimethylcyclohexanamine;2,2,2-trifluoroacetic acid
SMILESCN(C)C1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N.C2HF3O2/c1-9(2)8-6-4-3-5-7-8;3-2(4,5)1(6)7/h8H,3-7H2,1-2H3;(H,6,7)
InChIKeyQLWNYHGTRMOQGV-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.51
Rot. Bonds1

About N,N-dimethylcyclohexanamine;2,2,2-trifluoroacetic acid

N,N-dimethylcyclohexanamine;2,2,2-trifluoroacetic acid (PubChem CID 22623595) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N,N-dimethylcyclohexanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethylcyclohexanamine;2,2,2-trifluoroacetic acid
PubChem CID22623595
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC NameN,N-dimethylcyclohexanamine;2,2,2-trifluoroacetic acid
SMILESCN(C)C1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17N.C2HF3O2/c1-9(2)8-6-4-3-5-7-8;3-2(4,5)1(6)7/h8H,3-7H2,1-2H3;(H,6,7)
InChIKeyQLWNYHGTRMOQGV-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylcyclohexanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethylcyclohexanamine;2,2,2-trifluoroacetic acid (CID 22623595) is N,N-dimethylcyclohexanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethylcyclohexanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethylcyclohexanamine;2,2,2-trifluoroacetic acid is CN(C)C1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethylcyclohexanamine;2,2,2-trifluoroacetic acid?
The InChIKey is QLWNYHGTRMOQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2HF3O2/c1-9(2)8-6-4-3-5-7-8;3-2(4,5)1(6)7/h8H,3-7H2,1-2H3;(H,6,7).
What are the key properties of N,N-dimethylcyclohexanamine;2,2,2-trifluoroacetic acid?
N,N-dimethylcyclohexanamine;2,2,2-trifluoroacetic acid has a molecular weight of 241.25 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylcyclohexanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22623595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).