2-[4-(trifluoromethyl)oxan-4-yl]pyrrolidine

C10H16F3NO — CID 83910802

IUPAC2-[4-(trifluoromethyl)oxan-4-yl]pyrrolidine
SMILESFC(F)(F)C1(C2CCCN2)CCOCC1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)9(3-6-15-7-4-9)8-2-1-5-14-8/h8,14H,1-7H2
InChIKeySRILSQZAXDOUBJ-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.10
Rot. Bonds1

About 2-[4-(trifluoromethyl)oxan-4-yl]pyrrolidine

2-[4-(trifluoromethyl)oxan-4-yl]pyrrolidine (PubChem CID 83910802) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)oxan-4-yl]pyrrolidine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)oxan-4-yl]pyrrolidine
PubChem CID83910802
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name2-[4-(trifluoromethyl)oxan-4-yl]pyrrolidine
SMILESFC(F)(F)C1(C2CCCN2)CCOCC1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)9(3-6-15-7-4-9)8-2-1-5-14-8/h8,14H,1-7H2
InChIKeySRILSQZAXDOUBJ-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)oxan-4-yl]pyrrolidine?
The IUPAC name of 2-[4-(trifluoromethyl)oxan-4-yl]pyrrolidine (CID 83910802) is 2-[4-(trifluoromethyl)oxan-4-yl]pyrrolidine.
What is the SMILES notation for 2-[4-(trifluoromethyl)oxan-4-yl]pyrrolidine?
The canonical SMILES for 2-[4-(trifluoromethyl)oxan-4-yl]pyrrolidine is FC(F)(F)C1(C2CCCN2)CCOCC1.
What is the InChIKey of 2-[4-(trifluoromethyl)oxan-4-yl]pyrrolidine?
The InChIKey is SRILSQZAXDOUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)9(3-6-15-7-4-9)8-2-1-5-14-8/h8,14H,1-7H2.
What are the key properties of 2-[4-(trifluoromethyl)oxan-4-yl]pyrrolidine?
2-[4-(trifluoromethyl)oxan-4-yl]pyrrolidine has a molecular weight of 223.24 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)oxan-4-yl]pyrrolidine is sourced from PubChem (CID 83910802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).