N-methyl-1-[4-(trifluoromethyl)oxan-4-yl]methanamine

C8H14F3NO — CID 121208317

IUPACN-methyl-1-[4-(trifluoromethyl)oxan-4-yl]methanamine
SMILESCNCC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C8H14F3NO/c1-12-6-7(8(9,10)11)2-4-13-5-3-7/h12H,2-6H2,1H3
InChIKeyKJNHTYUNWZTJGO-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.56
Rot. Bonds2

About N-methyl-1-[4-(trifluoromethyl)oxan-4-yl]methanamine

N-methyl-1-[4-(trifluoromethyl)oxan-4-yl]methanamine (PubChem CID 121208317) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethyl)oxan-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethyl)oxan-4-yl]methanamine
PubChem CID121208317
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-methyl-1-[4-(trifluoromethyl)oxan-4-yl]methanamine
SMILESCNCC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C8H14F3NO/c1-12-6-7(8(9,10)11)2-4-13-5-3-7/h12H,2-6H2,1H3
InChIKeyKJNHTYUNWZTJGO-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethyl)oxan-4-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(trifluoromethyl)oxan-4-yl]methanamine (CID 121208317) is N-methyl-1-[4-(trifluoromethyl)oxan-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethyl)oxan-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(trifluoromethyl)oxan-4-yl]methanamine is CNCC1(C(F)(F)F)CCOCC1.
What is the InChIKey of N-methyl-1-[4-(trifluoromethyl)oxan-4-yl]methanamine?
The InChIKey is KJNHTYUNWZTJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-12-6-7(8(9,10)11)2-4-13-5-3-7/h12H,2-6H2,1H3.
What are the key properties of N-methyl-1-[4-(trifluoromethyl)oxan-4-yl]methanamine?
N-methyl-1-[4-(trifluoromethyl)oxan-4-yl]methanamine has a molecular weight of 197.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethyl)oxan-4-yl]methanamine is sourced from PubChem (CID 121208317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).