9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane

C16H21F3N2 — CID 64954522

IUPAC9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane
SMILESCc1ccc(N2CCNC3(CCCC3)C2)cc1C(F)(F)F
InChIInChI=1S/C16H21F3N2/c1-12-4-5-13(10-14(12)16(17,18)19)21-9-8-20-15(11-21)6-2-3-7-15/h4-5,10,20H,2-3,6-9,11H2,1H3
InChIKeyRYCWIPMLDBRZBO-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.74
Rot. Bonds1

About 9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane

9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane (PubChem CID 64954522) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane
PubChem CID64954522
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane
SMILESCc1ccc(N2CCNC3(CCCC3)C2)cc1C(F)(F)F
InChIInChI=1S/C16H21F3N2/c1-12-4-5-13(10-14(12)16(17,18)19)21-9-8-20-15(11-21)6-2-3-7-15/h4-5,10,20H,2-3,6-9,11H2,1H3
InChIKeyRYCWIPMLDBRZBO-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane (CID 64954522) is 9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane is Cc1ccc(N2CCNC3(CCCC3)C2)cc1C(F)(F)F.
What is the InChIKey of 9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is RYCWIPMLDBRZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c1-12-4-5-13(10-14(12)16(17,18)19)21-9-8-20-15(11-21)6-2-3-7-15/h4-5,10,20H,2-3,6-9,11H2,1H3.
What are the key properties of 9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane?
9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 298.35 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64954522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).