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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl((2-methyloxolan-3-yl)methyl)amine
CID 79370058
2,2,2-trifluoro-N-methyl-1-(oxolan-3-yl)ethanamine
CID 55282487
3-[(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 134373646
Methanidyl-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]azanium
CID 155624841
N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine
CID 166470499
2,2,2-trifluoro-N-(oxolan-3-ylmethyl)ethanamine
CID 24705432
2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55083017
2,2-difluoro-N-(oxolan-3-ylmethyl)ethanamine
CID 61039221
N,2-diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62529356
2-ethyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62530564
2-ethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62530971
3,3,3-trifluoro-N-(oxolan-3-ylmethyl)propan-1-amine
CID 63226190

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).