N-methyl-1-[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine

C11H20F3NO — CID 82958155

IUPACN-methyl-1-[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
SMILESCNCC1(OCCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H20F3NO/c1-15-9-10(5-3-2-4-6-10)16-8-7-11(12,13)14/h15H,2-9H2,1H3
InChIKeyWWBTZRUMQHCJFH-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds5

About N-methyl-1-[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine

N-methyl-1-[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine (PubChem CID 82958155) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-methyl-1-[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
PubChem CID82958155
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-methyl-1-[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
SMILESCNCC1(OCCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H20F3NO/c1-15-9-10(5-3-2-4-6-10)16-8-7-11(12,13)14/h15H,2-9H2,1H3
InChIKeyWWBTZRUMQHCJFH-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine (CID 82958155) is N-methyl-1-[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine is CNCC1(OCCC(F)(F)F)CCCCC1.
What is the InChIKey of N-methyl-1-[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine?
The InChIKey is WWBTZRUMQHCJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-15-9-10(5-3-2-4-6-10)16-8-7-11(12,13)14/h15H,2-9H2,1H3.
What are the key properties of N-methyl-1-[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine?
N-methyl-1-[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine is sourced from PubChem (CID 82958155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).