9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine

C11H18F3NO — CID 64756955

IUPAC9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESNC1CCOC2(CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)8-1-4-10(5-2-8)7-9(15)3-6-16-10/h8-9H,1-7,15H2
InChIKeyRACMYCLHFSQLBO-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.62
Rot. Bonds

About 9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine

9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 64756955) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound Name9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID64756955
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESNC1CCOC2(CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)8-1-4-10(5-2-8)7-9(15)3-6-16-10/h8-9H,1-7,15H2
InChIKeyRACMYCLHFSQLBO-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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 9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of 9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine (CID 64756955) is 9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for 9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for 9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine is NC1CCOC2(CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is RACMYCLHFSQLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)8-1-4-10(5-2-8)7-9(15)3-6-16-10/h8-9H,1-7,15H2.
What are the key properties of 9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine?
9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 237.26 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 64756955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).