2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine

C8H14F3NO — CID 142607542

IUPAC2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine
SMILESCNC(C1CCCCO1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-12-7(8(9,10)11)6-4-2-3-5-13-6/h6-7,12H,2-5H2,1H3
InChIKeyZHMOWWXJYOJNFJ-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.71
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine

2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine (PubChem CID 142607542) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine
PubChem CID142607542
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine
SMILESCNC(C1CCCCO1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-12-7(8(9,10)11)6-4-2-3-5-13-6/h6-7,12H,2-5H2,1H3
InChIKeyZHMOWWXJYOJNFJ-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-N-methyl-1-(oxan-2-yl)butan-1-amine
CID 104992872
(1R)-N-methyl-1-[(2S)-oxan-2-yl]ethanamine
CID 144712346
N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 115849284
2-cyclopropyl-N-methyl-1-(oxan-2-yl)ethanamine
CID 104986525
2-(dimethoxymethyl)oxane
CID 101048405
2-(1-fluoropropyl)oxane
CID 67686037
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103053273
N-methyl-1-(oxan-2-yl)-1-phenylmethanamine
CID 62213165
bis(oxan-2-yl)methanol
CID 173021788
2-(4-fluorophenyl)-N-methyl-1-(oxolan-2-yl)ethanamine
CID 61063961
4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine
CID 105055058
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103043459

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine (CID 142607542) is 2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine is CNC(C1CCCCO1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine?
The InChIKey is ZHMOWWXJYOJNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-12-7(8(9,10)11)6-4-2-3-5-13-6/h6-7,12H,2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine?
2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine has a molecular weight of 197.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine is sourced from PubChem (CID 142607542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).