(2R)-2-methoxy-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid

C10H18F3NO3 — CID 161393495

IUPAC(2R)-2-methoxy-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid
SMILESCNC1CCCC[C@H]1OC.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17NO.C2HF3O2/c1-9-7-5-3-4-6-8(7)10-2;3-2(4,5)1(6)7/h7-9H,3-6H2,1-2H3;(H,6,7)/t7?,8-;/m1./s1
InChIKeyKOODEUHBUWPOHC-LTTWWRRRSA-N
MW257.25 g/mol
LogP1.80
Rot. Bonds2

About (2R)-2-methoxy-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid

(2R)-2-methoxy-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 161393495) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is (2R)-2-methoxy-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R)-2-methoxy-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid
PubChem CID161393495
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name(2R)-2-methoxy-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid
SMILESCNC1CCCC[C@H]1OC.O=C(O)C(F)(F)F
InChIInChI=1S/C8H17NO.C2HF3O2/c1-9-7-5-3-4-6-8(7)10-2;3-2(4,5)1(6)7/h7-9H,3-6H2,1-2H3;(H,6,7)/t7?,8-;/m1./s1
InChIKeyKOODEUHBUWPOHC-LTTWWRRRSA-N
XLogP1.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R)-2-methoxy-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid (CID 161393495) is (2R)-2-methoxy-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R)-2-methoxy-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R)-2-methoxy-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid is CNC1CCCC[C@H]1OC.O=C(O)C(F)(F)F.
What is the InChIKey of (2R)-2-methoxy-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is KOODEUHBUWPOHC-LTTWWRRRSA-N. The full InChI is InChI=1S/C8H17NO.C2HF3O2/c1-9-7-5-3-4-6-8(7)10-2;3-2(4,5)1(6)7/h7-9H,3-6H2,1-2H3;(H,6,7)/t7?,8-;/m1./s1.
What are the key properties of (2R)-2-methoxy-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid?
(2R)-2-methoxy-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 257.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161393495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).