2,2,2-trifluoro-N-[(2-methyloxolan-3-yl)methyl]ethanamine

C8H14F3NO — CID 79760042

IUPAC2,2,2-trifluoro-N-[(2-methyloxolan-3-yl)methyl]ethanamine
SMILESCC1OCCC1CNCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6-7(2-3-13-6)4-12-5-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyGYNMZHUZWPHMJV-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.56
Rot. Bonds3

About 2,2,2-trifluoro-N-[(2-methyloxolan-3-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(2-methyloxolan-3-yl)methyl]ethanamine (PubChem CID 79760042) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2-methyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2-methyloxolan-3-yl)methyl]ethanamine
PubChem CID79760042
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2,2,2-trifluoro-N-[(2-methyloxolan-3-yl)methyl]ethanamine
SMILESCC1OCCC1CNCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6-7(2-3-13-6)4-12-5-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyGYNMZHUZWPHMJV-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 2,2,2-trifluoro-N-[(2-methyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(2-methyloxolan-3-yl)methyl]ethanamine (CID 79760042) is 2,2,2-trifluoro-N-[(2-methyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2-methyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(2-methyloxolan-3-yl)methyl]ethanamine is CC1OCCC1CNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2-methyloxolan-3-yl)methyl]ethanamine?
The InChIKey is GYNMZHUZWPHMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6-7(2-3-13-6)4-12-5-8(9,10)11/h6-7,12H,2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(2-methyloxolan-3-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(2-methyloxolan-3-yl)methyl]ethanamine has a molecular weight of 197.20 g/mol, XLogP of 1.56, 3 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-[(2-methyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 79760042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).