3,3,3-trifluoro-2-(oxan-4-yl)propan-1-amine

C8H14F3NO — CID 83686082

IUPAC3,3,3-trifluoro-2-(oxan-4-yl)propan-1-amine
SMILESNCC(C1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)7(5-12)6-1-3-13-4-2-6/h6-7H,1-5,12H2
InChIKeyRGFPFTWZKIYRJP-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.55
Rot. Bonds2

About 3,3,3-trifluoro-2-(oxan-4-yl)propan-1-amine

3,3,3-trifluoro-2-(oxan-4-yl)propan-1-amine (PubChem CID 83686082) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(oxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(oxan-4-yl)propan-1-amine
PubChem CID83686082
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3,3,3-trifluoro-2-(oxan-4-yl)propan-1-amine
SMILESNCC(C1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)7(5-12)6-1-3-13-4-2-6/h6-7H,1-5,12H2
InChIKeyRGFPFTWZKIYRJP-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(oxan-4-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(oxan-4-yl)propan-1-amine (CID 83686082) is 3,3,3-trifluoro-2-(oxan-4-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(oxan-4-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(oxan-4-yl)propan-1-amine is NCC(C1CCOCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(oxan-4-yl)propan-1-amine?
The InChIKey is RGFPFTWZKIYRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)7(5-12)6-1-3-13-4-2-6/h6-7H,1-5,12H2.
What are the key properties of 3,3,3-trifluoro-2-(oxan-4-yl)propan-1-amine?
3,3,3-trifluoro-2-(oxan-4-yl)propan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.55, 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-2-(oxan-4-yl)propan-1-amine is sourced from PubChem (CID 83686082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).