1,1,1-trifluoro-7-(oxolan-2-yl)heptan-4-amine

C11H20F3NO — CID 79953752

IUPAC1,1,1-trifluoro-7-(oxolan-2-yl)heptan-4-amine
SMILESNC(CCCC1CCCO1)CCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c12-11(13,14)7-6-9(15)3-1-4-10-5-2-8-16-10/h9-10H,1-8,15H2
InChIKeyOZHLXENKISEESR-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.01
Rot. Bonds6

About 1,1,1-trifluoro-7-(oxolan-2-yl)heptan-4-amine

1,1,1-trifluoro-7-(oxolan-2-yl)heptan-4-amine (PubChem CID 79953752) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-7-(oxolan-2-yl)heptan-4-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-7-(oxolan-2-yl)heptan-4-amine
PubChem CID79953752
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1,1,1-trifluoro-7-(oxolan-2-yl)heptan-4-amine
SMILESNC(CCCC1CCCO1)CCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c12-11(13,14)7-6-9(15)3-1-4-10-5-2-8-16-10/h9-10H,1-8,15H2
InChIKeyOZHLXENKISEESR-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-7-(oxolan-2-yl)heptan-4-amine?
The IUPAC name of 1,1,1-trifluoro-7-(oxolan-2-yl)heptan-4-amine (CID 79953752) is 1,1,1-trifluoro-7-(oxolan-2-yl)heptan-4-amine.
What is the SMILES notation for 1,1,1-trifluoro-7-(oxolan-2-yl)heptan-4-amine?
The canonical SMILES for 1,1,1-trifluoro-7-(oxolan-2-yl)heptan-4-amine is NC(CCCC1CCCO1)CCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-7-(oxolan-2-yl)heptan-4-amine?
The InChIKey is OZHLXENKISEESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)7-6-9(15)3-1-4-10-5-2-8-16-10/h9-10H,1-8,15H2.
What are the key properties of 1,1,1-trifluoro-7-(oxolan-2-yl)heptan-4-amine?
1,1,1-trifluoro-7-(oxolan-2-yl)heptan-4-amine has a molecular weight of 239.28 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-7-(oxolan-2-yl)heptan-4-amine is sourced from PubChem (CID 79953752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).