2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane

C15H18F4N2 — CID 150216929

IUPAC2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
SMILESFc1cc(C(F)(F)F)ccc1CN1CCC2(CCNC2)C1
InChIInChI=1S/C15H18F4N2/c16-13-7-12(15(17,18)19)2-1-11(13)8-21-6-4-14(10-21)3-5-20-9-14/h1-2,7,20H,3-6,8-10H2
InChIKeyFSRCEHFVYUWMSF-UHFFFAOYSA-N
MW302.31 g/mol
LogP3.03
Rot. Bonds2

About 2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane

2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 150216929) has the molecular formula C15H18F4N2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
PubChem CID150216929
Molecular FormulaC15H18F4N2
Molecular Weight302.31 g/mol
Exact Mass302.14
IUPAC Name2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
SMILESFc1cc(C(F)(F)F)ccc1CN1CCC2(CCNC2)C1
InChIInChI=1S/C15H18F4N2/c16-13-7-12(15(17,18)19)2-1-11(13)8-21-6-4-14(10-21)3-5-20-9-14/h1-2,7,20H,3-6,8-10H2
InChIKeyFSRCEHFVYUWMSF-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane (CID 150216929) is 2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane is Fc1cc(C(F)(F)F)ccc1CN1CCC2(CCNC2)C1.
What is the InChIKey of 2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is FSRCEHFVYUWMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4N2/c16-13-7-12(15(17,18)19)2-1-11(13)8-21-6-4-14(10-21)3-5-20-9-14/h1-2,7,20H,3-6,8-10H2.
What are the key properties of 2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane?
2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 302.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 150216929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).