N-ethyl-4,4,4-trifluoro-1-(oxan-4-yl)butan-2-amine

C11H20F3NO — CID 62605539

IUPACN-ethyl-4,4,4-trifluoro-1-(oxan-4-yl)butan-2-amine
SMILESCCNC(CC1CCOCC1)CC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-2-15-10(8-11(12,13)14)7-9-3-5-16-6-4-9/h9-10,15H,2-8H2,1H3
InChIKeyVSMUKLRBEIULNE-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds5

About N-ethyl-4,4,4-trifluoro-1-(oxan-4-yl)butan-2-amine

N-ethyl-4,4,4-trifluoro-1-(oxan-4-yl)butan-2-amine (PubChem CID 62605539) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(oxan-4-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(oxan-4-yl)butan-2-amine
PubChem CID62605539
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(oxan-4-yl)butan-2-amine
SMILESCCNC(CC1CCOCC1)CC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-2-15-10(8-11(12,13)14)7-9-3-5-16-6-4-9/h9-10,15H,2-8H2,1H3
InChIKeyVSMUKLRBEIULNE-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(oxan-4-yl)butan-2-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(oxan-4-yl)butan-2-amine (CID 62605539) is N-ethyl-4,4,4-trifluoro-1-(oxan-4-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(oxan-4-yl)butan-2-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(oxan-4-yl)butan-2-amine is CCNC(CC1CCOCC1)CC(F)(F)F.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(oxan-4-yl)butan-2-amine?
The InChIKey is VSMUKLRBEIULNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-15-10(8-11(12,13)14)7-9-3-5-16-6-4-9/h9-10,15H,2-8H2,1H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(oxan-4-yl)butan-2-amine?
N-ethyl-4,4,4-trifluoro-1-(oxan-4-yl)butan-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(oxan-4-yl)butan-2-amine is sourced from PubChem (CID 62605539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).