3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine

C16H28F3NO — CID 79908394

IUPAC3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H28F3NO/c1-2-9-20-14(12-16(17,18)19)13-6-10-21-15(11-13)7-4-3-5-8-15/h13-14,20H,2-12H2,1H3
InChIKeyBZWJRKOZBTWATM-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.44
Rot. Bonds5

About 3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine

3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine (PubChem CID 79908394) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
PubChem CID79908394
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC Name3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H28F3NO/c1-2-9-20-14(12-16(17,18)19)13-6-10-21-15(11-13)7-4-3-5-8-15/h13-14,20H,2-12H2,1H3
InChIKeyBZWJRKOZBTWATM-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine (CID 79908394) is 3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine is CCCNC(CC(F)(F)F)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine?
The InChIKey is BZWJRKOZBTWATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO/c1-2-9-20-14(12-16(17,18)19)13-6-10-21-15(11-13)7-4-3-5-8-15/h13-14,20H,2-12H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine?
3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine has a molecular weight of 307.40 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 79908394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).