[1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone

C15H17F4NO — CID 107288197

IUPAC[1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESCN(C)C1(C(=O)c2ccc(C(F)(F)F)c(F)c2)CCCC1
InChIInChI=1S/C15H17F4NO/c1-20(2)14(7-3-4-8-14)13(21)10-5-6-11(12(16)9-10)15(17,18)19/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyULHSSSCEPIYWJD-UHFFFAOYSA-N
MW303.30 g/mol
LogP3.90
Rot. Bonds3

About [1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone

[1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone (PubChem CID 107288197) has the molecular formula C15H17F4NO and a molecular weight of 303.30 g/mol. Its IUPAC name is [1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
PubChem CID107288197
Molecular FormulaC15H17F4NO
Molecular Weight303.30 g/mol
Exact Mass303.12
IUPAC Name[1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESCN(C)C1(C(=O)c2ccc(C(F)(F)F)c(F)c2)CCCC1
InChIInChI=1S/C15H17F4NO/c1-20(2)14(7-3-4-8-14)13(21)10-5-6-11(12(16)9-10)15(17,18)19/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyULHSSSCEPIYWJD-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone (CID 107288197) is [1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone is CN(C)C1(C(=O)c2ccc(C(F)(F)F)c(F)c2)CCCC1.
What is the InChIKey of [1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is ULHSSSCEPIYWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4NO/c1-20(2)14(7-3-4-8-14)13(21)10-5-6-11(12(16)9-10)15(17,18)19/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of [1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
[1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 303.30 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclopentyl]-[3-fluoro-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 107288197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).