1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-amine

C7H12F3NO — CID 66465194

IUPAC1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-amine
SMILESNC(CC1CCCO1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(11)4-5-2-1-3-12-5/h5-6H,1-4,11H2
InChIKeyQOINFZXOMMMZBQ-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.45
Rot. Bonds2

About 1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-amine

1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-amine (PubChem CID 66465194) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-amine
PubChem CID66465194
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-amine
SMILESNC(CC1CCCO1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(11)4-5-2-1-3-12-5/h5-6H,1-4,11H2
InChIKeyQOINFZXOMMMZBQ-UHFFFAOYSA-N
XLogP1.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.45
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-3-(oxolan-2-yl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-amine (CID 66465194) is 1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-amine is NC(CC1CCCO1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-amine?
The InChIKey is QOINFZXOMMMZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)6(11)4-5-2-1-3-12-5/h5-6H,1-4,11H2.
What are the key properties of 1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-amine?
1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-amine has a molecular weight of 183.17 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 66465194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).