N-benzyl-3-(trifluoromethyl)oxolan-3-amine

C12H14F3NO — CID 75480518

IUPACN-benzyl-3-(trifluoromethyl)oxolan-3-amine
SMILESFC(F)(F)C1(NCc2ccccc2)CCOC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)11(6-7-17-9-11)16-8-10-4-2-1-3-5-10/h1-5,16H,6-9H2
InChIKeyGOWNSQPPHVFBFE-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.50
Rot. Bonds3

About N-benzyl-3-(trifluoromethyl)oxolan-3-amine

N-benzyl-3-(trifluoromethyl)oxolan-3-amine (PubChem CID 75480518) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N-benzyl-3-(trifluoromethyl)oxolan-3-amine.

Molecular Properties

Compound NameN-benzyl-3-(trifluoromethyl)oxolan-3-amine
PubChem CID75480518
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN-benzyl-3-(trifluoromethyl)oxolan-3-amine
SMILESFC(F)(F)C1(NCc2ccccc2)CCOC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)11(6-7-17-9-11)16-8-10-4-2-1-3-5-10/h1-5,16H,6-9H2
InChIKeyGOWNSQPPHVFBFE-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(trifluoromethyl)oxolan-3-amine?
The IUPAC name of N-benzyl-3-(trifluoromethyl)oxolan-3-amine (CID 75480518) is N-benzyl-3-(trifluoromethyl)oxolan-3-amine.
What is the SMILES notation for N-benzyl-3-(trifluoromethyl)oxolan-3-amine?
The canonical SMILES for N-benzyl-3-(trifluoromethyl)oxolan-3-amine is FC(F)(F)C1(NCc2ccccc2)CCOC1.
What is the InChIKey of N-benzyl-3-(trifluoromethyl)oxolan-3-amine?
The InChIKey is GOWNSQPPHVFBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)11(6-7-17-9-11)16-8-10-4-2-1-3-5-10/h1-5,16H,6-9H2.
What are the key properties of N-benzyl-3-(trifluoromethyl)oxolan-3-amine?
N-benzyl-3-(trifluoromethyl)oxolan-3-amine has a molecular weight of 245.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(trifluoromethyl)oxolan-3-amine is sourced from PubChem (CID 75480518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).