N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine

C11H20F3NO2 — CID 66276304

IUPACN-propyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine
SMILESCCCNC1CCOCC1OC(C)C(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-3-5-15-9-4-6-16-7-10(9)17-8(2)11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyPFPVGYQLYORGMT-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.11
Rot. Bonds5

About N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine

N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine (PubChem CID 66276304) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine.

Molecular Properties

Compound NameN-propyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine
PubChem CID66276304
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-propyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine
SMILESCCCNC1CCOCC1OC(C)C(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-3-5-15-9-4-6-16-7-10(9)17-8(2)11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyPFPVGYQLYORGMT-UHFFFAOYSA-N
XLogP2.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine?
The IUPAC name of N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine (CID 66276304) is N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine.
What is the SMILES notation for N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine?
The canonical SMILES for N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine is CCCNC1CCOCC1OC(C)C(F)(F)F.
What is the InChIKey of N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine?
The InChIKey is PFPVGYQLYORGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-3-5-15-9-4-6-16-7-10(9)17-8(2)11(12,13)14/h8-10,15H,3-7H2,1-2H3.
What are the key properties of N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine?
N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine has a molecular weight of 255.28 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)oxan-4-amine is sourced from PubChem (CID 66276304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).