[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone

C14H15F4NO — CID 107291161

IUPAC[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
SMILESCC1(C(=O)c2ccc(C(F)(F)F)c(F)c2)CCCCN1
InChIInChI=1S/C14H15F4NO/c1-13(6-2-3-7-19-13)12(20)9-4-5-10(11(15)8-9)14(16,17)18/h4-5,8,19H,2-3,6-7H2,1H3
InChIKeyVQRAHPNGDKCABR-UHFFFAOYSA-N
MW289.27 g/mol
LogP3.56
Rot. Bonds2

About [3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone

[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone (PubChem CID 107291161) has the molecular formula C14H15F4NO and a molecular weight of 289.27 g/mol. Its IUPAC name is [3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
PubChem CID107291161
Molecular FormulaC14H15F4NO
Molecular Weight289.27 g/mol
Exact Mass289.11
IUPAC Name[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
SMILESCC1(C(=O)c2ccc(C(F)(F)F)c(F)c2)CCCCN1
InChIInChI=1S/C14H15F4NO/c1-13(6-2-3-7-19-13)12(20)9-4-5-10(11(15)8-9)14(16,17)18/h4-5,8,19H,2-3,6-7H2,1H3
InChIKeyVQRAHPNGDKCABR-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone?
The IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone (CID 107291161) is [3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone.
What is the SMILES notation for [3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone?
The canonical SMILES for [3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone is CC1(C(=O)c2ccc(C(F)(F)F)c(F)c2)CCCCN1.
What is the InChIKey of [3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone?
The InChIKey is VQRAHPNGDKCABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO/c1-13(6-2-3-7-19-13)12(20)9-4-5-10(11(15)8-9)14(16,17)18/h4-5,8,19H,2-3,6-7H2,1H3.
What are the key properties of [3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone?
[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone has a molecular weight of 289.27 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 107291161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).