1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one

C15H18F3NO2 — CID 116558957

IUPAC1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one
SMILESO=C(CNC1CCCC1)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)21-14-7-5-11(6-8-14)9-13(20)10-19-12-3-1-2-4-12/h5-8,12,19H,1-4,9-10H2
InChIKeyJUJVCMJMKJDBMZ-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.23
Rot. Bonds6

About 1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one

1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one (PubChem CID 116558957) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one
PubChem CID116558957
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one
SMILESO=C(CNC1CCCC1)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)21-14-7-5-11(6-8-14)9-13(20)10-19-12-3-1-2-4-12/h5-8,12,19H,1-4,9-10H2
InChIKeyJUJVCMJMKJDBMZ-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine
CID 126728159
1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 114968084
1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 62620228
1-(1,3-dioxolan-2-yl)-3-[4-(trifluoromethoxy)phenyl]propan-2-one
CID 103543650
1-(cyclopentylamino)-3-(3,4-dimethylphenyl)propan-2-one
CID 116559120
4-amino-4-cyclopropyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 116608648
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-one
CID 62622266
N-(4-hydroxy-4-phenylcyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 154861590
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
1-(oxan-4-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 65329809
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 94794742

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one?
The IUPAC name of 1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one (CID 116558957) is 1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one.
What is the SMILES notation for 1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one?
The canonical SMILES for 1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one is O=C(CNC1CCCC1)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one?
The InChIKey is JUJVCMJMKJDBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-15(17,18)21-14-7-5-11(6-8-14)9-13(20)10-19-12-3-1-2-4-12/h5-8,12,19H,1-4,9-10H2.
What are the key properties of 1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one?
1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one has a molecular weight of 301.31 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one is sourced from PubChem (CID 116558957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).