1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methyl-N-propylpentan-2-amine

C12H21F6NO — CID 102721944

IUPAC1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(COC(C(F)(F)F)C(F)(F)F)C(C)CC
InChIInChI=1S/C12H21F6NO/c1-4-6-19-9(8(3)5-2)7-20-10(11(13,14)15)12(16,17)18/h8-10,19H,4-7H2,1-3H3
InChIKeySXFOGBAYUNLVCO-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.91
Rot. Bonds8

About 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methyl-N-propylpentan-2-amine

1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methyl-N-propylpentan-2-amine (PubChem CID 102721944) has the molecular formula C12H21F6NO and a molecular weight of 309.29 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methyl-N-propylpentan-2-amine
PubChem CID102721944
Molecular FormulaC12H21F6NO
Molecular Weight309.29 g/mol
Exact Mass309.15
IUPAC Name1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(COC(C(F)(F)F)C(F)(F)F)C(C)CC
InChIInChI=1S/C12H21F6NO/c1-4-6-19-9(8(3)5-2)7-20-10(11(13,14)15)12(16,17)18/h8-10,19H,4-7H2,1-3H3
InChIKeySXFOGBAYUNLVCO-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methyl-N-propylpentan-2-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 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methyl-N-propylpentan-2-amine (CID 102721944) is 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methyl-N-propylpentan-2-amine is CCCNC(COC(C(F)(F)F)C(F)(F)F)C(C)CC.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methyl-N-propylpentan-2-amine?
The InChIKey is SXFOGBAYUNLVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F6NO/c1-4-6-19-9(8(3)5-2)7-20-10(11(13,14)15)12(16,17)18/h8-10,19H,4-7H2,1-3H3.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methyl-N-propylpentan-2-amine?
1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methyl-N-propylpentan-2-amine has a molecular weight of 309.29 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 102721944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).