N-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C12H22F3NO — CID 55106482

IUPACN-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1OCC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-8(2)9-4-5-10(16-3)11(6-9)17-7-12(13,14)15/h8-11,16H,4-7H2,1-3H3
InChIKeyYVFRERLJCSQAOQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.98
Rot. Bonds4

About N-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 55106482) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID55106482
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1OCC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-8(2)9-4-5-10(16-3)11(6-9)17-7-12(13,14)15/h8-11,16H,4-7H2,1-3H3
InChIKeyYVFRERLJCSQAOQ-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 55106482) is N-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CNC1CCC(C(C)C)CC1OCC(F)(F)F.
What is the InChIKey of N-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is YVFRERLJCSQAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-8(2)9-4-5-10(16-3)11(6-9)17-7-12(13,14)15/h8-11,16H,4-7H2,1-3H3.
What are the key properties of N-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 55106482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).