4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-2-amine

C11H20F3NO — CID 62604639

IUPAC4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC1CCCO1)CC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-2-5-15-9(8-11(12,13)14)7-10-4-3-6-16-10/h9-10,15H,2-8H2,1H3
InChIKeyMEPAYPUSXYLONI-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds6

About 4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-2-amine

4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-2-amine (PubChem CID 62604639) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-2-amine
PubChem CID62604639
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC1CCCO1)CC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-2-5-15-9(8-11(12,13)14)7-10-4-3-6-16-10/h9-10,15H,2-8H2,1H3
InChIKeyMEPAYPUSXYLONI-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-2-amine (CID 62604639) is 4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-2-amine is CCCNC(CC1CCCO1)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-2-amine?
The InChIKey is MEPAYPUSXYLONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-5-15-9(8-11(12,13)14)7-10-4-3-6-16-10/h9-10,15H,2-8H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-2-amine?
4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 62604639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).