[4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone

C16H18F4N2O — CID 95043075

IUPAC[4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
SMILESCN1CC[C@@]2(CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)C2)C1
InChIInChI=1S/C16H18F4N2O/c1-21-6-4-15(9-21)5-7-22(10-15)14(23)11-2-3-13(17)12(8-11)16(18,19)20/h2-3,8H,4-7,9-10H2,1H3/t15-/m1/s1
InChIKeyQYCOQVRCOHYQEE-OAHLLOKOSA-N
MW330.32 g/mol
LogP3.01
Rot. Bonds1

About [4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone

[4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone (PubChem CID 95043075) has the molecular formula C16H18F4N2O and a molecular weight of 330.32 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
PubChem CID95043075
Molecular FormulaC16H18F4N2O
Molecular Weight330.32 g/mol
Exact Mass330.14
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
SMILESCN1CC[C@@]2(CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)C2)C1
InChIInChI=1S/C16H18F4N2O/c1-21-6-4-15(9-21)5-7-22(10-15)14(23)11-2-3-13(17)12(8-11)16(18,19)20/h2-3,8H,4-7,9-10H2,1H3/t15-/m1/s1
InChIKeyQYCOQVRCOHYQEE-OAHLLOKOSA-N
XLogP3.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone with MolForge

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Related Compounds

[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 95043098
(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanone
CID 121451640
(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 134078666
1-[3-[4-fluoro-3-(trifluoromethyl)benzoyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 71549063
[4-bromo-3-(trifluoromethyl)phenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103800392
[4-(3-hydroxy-3-methylbutyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 95880829
[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81467076
(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155856040
[4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546114
3-methyl-5-(2-methyl-2,7-diazaspiro[4.5]decane-7-carbonyl)-1H-benzimidazol-2-one
CID 138035808
[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492576
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120660150

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone (CID 95043075) is [4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone is CN1CC[C@@]2(CCN(C(=O)c3ccc(F)c(C(F)(F)F)c3)C2)C1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The InChIKey is QYCOQVRCOHYQEE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18F4N2O/c1-21-6-4-15(9-21)5-7-22(10-15)14(23)11-2-3-13(17)12(8-11)16(18,19)20/h2-3,8H,4-7,9-10H2,1H3/t15-/m1/s1.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
[4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone has a molecular weight of 330.32 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone is sourced from PubChem (CID 95043075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).