3-(3,3,3-trifluoropropoxy)spiro[3.4]octan-1-amine

C11H18F3NO — CID 82958074

IUPAC3-(3,3,3-trifluoropropoxy)spiro[3.4]octan-1-amine
SMILESNC1CC(OCCC(F)(F)F)C12CCCC2
InChIInChI=1S/C11H18F3NO/c12-11(13,14)5-6-16-9-7-8(15)10(9)3-1-2-4-10/h8-9H,1-7,15H2
InChIKeyRQKIIUFNXWXYDD-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.62
Rot. Bonds3

About 3-(3,3,3-trifluoropropoxy)spiro[3.4]octan-1-amine

3-(3,3,3-trifluoropropoxy)spiro[3.4]octan-1-amine (PubChem CID 82958074) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropoxy)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropoxy)spiro[3.4]octan-1-amine
PubChem CID82958074
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name3-(3,3,3-trifluoropropoxy)spiro[3.4]octan-1-amine
SMILESNC1CC(OCCC(F)(F)F)C12CCCC2
InChIInChI=1S/C11H18F3NO/c12-11(13,14)5-6-16-9-7-8(15)10(9)3-1-2-4-10/h8-9H,1-7,15H2
InChIKeyRQKIIUFNXWXYDD-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropoxy)spiro[3.4]octan-1-amine?
The IUPAC name of 3-(3,3,3-trifluoropropoxy)spiro[3.4]octan-1-amine (CID 82958074) is 3-(3,3,3-trifluoropropoxy)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-(3,3,3-trifluoropropoxy)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-(3,3,3-trifluoropropoxy)spiro[3.4]octan-1-amine is NC1CC(OCCC(F)(F)F)C12CCCC2.
What is the InChIKey of 3-(3,3,3-trifluoropropoxy)spiro[3.4]octan-1-amine?
The InChIKey is RQKIIUFNXWXYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)5-6-16-9-7-8(15)10(9)3-1-2-4-10/h8-9H,1-7,15H2.
What are the key properties of 3-(3,3,3-trifluoropropoxy)spiro[3.4]octan-1-amine?
3-(3,3,3-trifluoropropoxy)spiro[3.4]octan-1-amine has a molecular weight of 237.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropoxy)spiro[3.4]octan-1-amine is sourced from PubChem (CID 82958074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).