1-(1-aminocyclopentyl)ethanone;1-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone

C27H28F3NO4 — CID 143253208

IUPAC1-(1-aminocyclopentyl)ethanone;1-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone
SMILESCC(=O)C1(N)CCCC1.CC(=O)c1cc(O)c2ccccc2c1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H15F3O3.C7H13NO/c1-12(24)17-10-18(25)15-4-2-3-5-16(15)19(17)26-11-13-6-8-14(9-7-13)20(21,22)23;1-6(9)7(8)4-2-3-5-7/h2-10,25H,11H2,1H3;2-5,8H2,1H3
InChIKeyWCARQUKGZZKHBH-UHFFFAOYSA-N
MW487.52 g/mol
LogP6.19
Rot. Bonds5

About 1-(1-aminocyclopentyl)ethanone;1-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone

1-(1-aminocyclopentyl)ethanone;1-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone (PubChem CID 143253208) has the molecular formula C27H28F3NO4 and a molecular weight of 487.52 g/mol. Its IUPAC name is 1-(1-aminocyclopentyl)ethanone;1-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-(1-aminocyclopentyl)ethanone;1-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone
PubChem CID143253208
Molecular FormulaC27H28F3NO4
Molecular Weight487.52 g/mol
Exact Mass487.20
IUPAC Name1-(1-aminocyclopentyl)ethanone;1-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone
SMILESCC(=O)C1(N)CCCC1.CC(=O)c1cc(O)c2ccccc2c1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H15F3O3.C7H13NO/c1-12(24)17-10-18(25)15-4-2-3-5-16(15)19(17)26-11-13-6-8-14(9-7-13)20(21,22)23;1-6(9)7(8)4-2-3-5-7/h2-10,25H,11H2,1H3;2-5,8H2,1H3
InChIKeyWCARQUKGZZKHBH-UHFFFAOYSA-N
XLogP6.19
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.52
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone
CID 143253149
N-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide
CID 66701260
2-[[4-chloro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]-2-methylpropanoic acid
CID 11648395
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide
CID 135394741
1-(4-phenylmethoxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3514022
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119266145
1-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296688
1-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119280379
2-benzyl-2-methyl-5-oxo-5-[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]pentanoic acid
CID 162552175
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
3-methyl-4-phenylmethoxynaphthalen-1-ol
CID 12051652

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopentyl)ethanone;1-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone?
The IUPAC name of 1-(1-aminocyclopentyl)ethanone;1-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone (CID 143253208) is 1-(1-aminocyclopentyl)ethanone;1-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone.
What is the SMILES notation for 1-(1-aminocyclopentyl)ethanone;1-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone?
The canonical SMILES for 1-(1-aminocyclopentyl)ethanone;1-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone is CC(=O)C1(N)CCCC1.CC(=O)c1cc(O)c2ccccc2c1OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(1-aminocyclopentyl)ethanone;1-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone?
The InChIKey is WCARQUKGZZKHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3O3.C7H13NO/c1-12(24)17-10-18(25)15-4-2-3-5-16(15)19(17)26-11-13-6-8-14(9-7-13)20(21,22)23;1-6(9)7(8)4-2-3-5-7/h2-10,25H,11H2,1H3;2-5,8H2,1H3.
What are the key properties of 1-(1-aminocyclopentyl)ethanone;1-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone?
1-(1-aminocyclopentyl)ethanone;1-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone has a molecular weight of 487.52 g/mol, XLogP of 6.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopentyl)ethanone;1-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]ethanone is sourced from PubChem (CID 143253208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).