3-(3,3,3-trifluoropropoxy)oxan-4-amine

C8H14F3NO2 — CID 82956611

IUPAC3-(3,3,3-trifluoropropoxy)oxan-4-amine
SMILESNC1CCOCC1OCCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)2-4-14-7-5-13-3-1-6(7)12/h6-7H,1-5,12H2
InChIKeyBQLODOMBXXONFM-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.07
Rot. Bonds3

About 3-(3,3,3-trifluoropropoxy)oxan-4-amine

3-(3,3,3-trifluoropropoxy)oxan-4-amine (PubChem CID 82956611) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropoxy)oxan-4-amine.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropoxy)oxan-4-amine
PubChem CID82956611
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name3-(3,3,3-trifluoropropoxy)oxan-4-amine
SMILESNC1CCOCC1OCCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)2-4-14-7-5-13-3-1-6(7)12/h6-7H,1-5,12H2
InChIKeyBQLODOMBXXONFM-UHFFFAOYSA-N
XLogP1.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,3,3-trifluoropropoxy)oxan-4-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

CID 43608858
CID 43608858
CID 122235837
CID 122235837
CID 54857356
CID 54857356
CID 43752928
CID 43752928
CID 61064375
CID 61064375
CID 61065970
CID 61065970
CID 61647833
CID 61647833
CID 61647834
CID 61647834
CID 61647835
CID 61647835
CID 61647891
CID 61647891
CID 61648320
CID 61648320
CID 61648373
CID 61648373

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropoxy)oxan-4-amine?
The IUPAC name of 3-(3,3,3-trifluoropropoxy)oxan-4-amine (CID 82956611) is 3-(3,3,3-trifluoropropoxy)oxan-4-amine.
What is the SMILES notation for 3-(3,3,3-trifluoropropoxy)oxan-4-amine?
The canonical SMILES for 3-(3,3,3-trifluoropropoxy)oxan-4-amine is NC1CCOCC1OCCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropoxy)oxan-4-amine?
The InChIKey is BQLODOMBXXONFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)2-4-14-7-5-13-3-1-6(7)12/h6-7H,1-5,12H2.
What are the key properties of 3-(3,3,3-trifluoropropoxy)oxan-4-amine?
3-(3,3,3-trifluoropropoxy)oxan-4-amine has a molecular weight of 213.20 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropoxy)oxan-4-amine is sourced from PubChem (CID 82956611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).