3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine

C8H14F3NO — CID 63935479

IUPAC3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine
SMILESNC(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)5-7(12)6-1-3-13-4-2-6/h6-7H,1-5,12H2
InChIKeyNDVJXSYLRFRKFF-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.69
Rot. Bonds2

About 3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine

3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine (PubChem CID 63935479) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine
PubChem CID63935479
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine
SMILESNC(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)5-7(12)6-1-3-13-4-2-6/h6-7H,1-5,12H2
InChIKeyNDVJXSYLRFRKFF-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine 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

(1R)-1-cyclobutyl-3,3,3-trifluoropropan-1-amine
CID 55293378
1-(oxan-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215269
(1S)-3,3,3-trifluoro-1-(4-methylcyclohexyl)propan-1-amine
CID 104941345
4-(1-bromo-4,4,4-trifluorobutan-2-yl)oxane
CID 121208217
1-(oxan-4-yl)propane-1,3-diamine
CID 116932858
(2S)-4,4,4-trifluoro-N-methyl-2-(oxan-4-yl)butan-1-amine
CID 129494993
3-methyl-1-(oxan-4-yl)butan-1-amine
CID 63935057
1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55132371
2-[(2-methylpropan-2-yl)oxy]-1-(oxan-4-yl)ethanamine
CID 105147172
N'-cyclopropyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 117238528
2-cyclohexyl-1-(oxan-4-yl)ethanamine
CID 65329431
1-(oxan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 65131354

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine (CID 63935479) is 3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine is NC(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of 3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine?
The InChIKey is NDVJXSYLRFRKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)5-7(12)6-1-3-13-4-2-6/h6-7H,1-5,12H2.
What are the key properties of 3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine?
3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine is sourced from PubChem (CID 63935479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).