N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethyl]propan-1-amine

C12H19F6NO2 — CID 102721968

IUPACN-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(COC(C(F)(F)F)C(F)(F)F)C1CCOC1
InChIInChI=1S/C12H19F6NO2/c1-2-4-19-9(8-3-5-20-6-8)7-21-10(11(13,14)15)12(16,17)18/h8-10,19H,2-7H2,1H3
InChIKeySYSQMWDYRJIQKE-UHFFFAOYSA-N
MW323.28 g/mol
LogP2.90
Rot. Bonds7

About N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethyl]propan-1-amine

N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 102721968) has the molecular formula C12H19F6NO2 and a molecular weight of 323.28 g/mol. Its IUPAC name is N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID102721968
Molecular FormulaC12H19F6NO2
Molecular Weight323.28 g/mol
Exact Mass323.13
IUPAC NameN-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(COC(C(F)(F)F)C(F)(F)F)C1CCOC1
InChIInChI=1S/C12H19F6NO2/c1-2-4-19-9(8-3-5-20-6-8)7-21-10(11(13,14)15)12(16,17)18/h8-10,19H,2-7H2,1H3
InChIKeySYSQMWDYRJIQKE-UHFFFAOYSA-N
XLogP2.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethyl]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

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethyl]propan-1-amine (CID 102721968) is N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethyl]propan-1-amine is CCCNC(COC(C(F)(F)F)C(F)(F)F)C1CCOC1.
What is the InChIKey of N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is SYSQMWDYRJIQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F6NO2/c1-2-4-19-9(8-3-5-20-6-8)7-21-10(11(13,14)15)12(16,17)18/h8-10,19H,2-7H2,1H3.
What are the key properties of N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethyl]propan-1-amine?
N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 323.28 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 102721968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).