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

C14H15F4NO — CID 107291162

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

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

[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone (PubChem CID 107291162) has the molecular formula C14H15F4NO and a molecular weight of 289.27 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
PubChem CID107291162
Molecular FormulaC14H15F4NO
Molecular Weight289.27 g/mol
Exact Mass289.11
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
SMILESCC1(C(=O)c2ccc(F)c(C(F)(F)F)c2)CCCCN1
InChIInChI=1S/C14H15F4NO/c1-13(6-2-3-7-19-13)12(20)9-4-5-11(15)10(8-9)14(16,17)18/h4-5,8,19H,2-3,6-7H2,1H3
InChIKeyLEMPOLRKYCQEBR-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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Related Compounds

[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
CID 107291161
(4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116614044
(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580446
[4-fluoro-3-(trifluoromethyl)phenyl]-(1-hydroxycycloheptyl)methanone
CID 107288374
(3,5-dimethylphenyl)-(2-methylpiperidin-2-yl)methanone
CID 116613962
(2-methylpyrrolidin-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 116580532
(5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116614148
(2,2-dimethylpiperazin-1-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 65460537
(3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580557
(2-methylpiperidin-2-yl)-thiophen-2-ylmethanone
CID 116614225
4-fluoro-N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)benzamide
CID 103737493
N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104596735

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone (CID 107291162) is [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone is CC1(C(=O)c2ccc(F)c(C(F)(F)F)c2)CCCCN1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone?
The InChIKey is LEMPOLRKYCQEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO/c1-13(6-2-3-7-19-13)12(20)9-4-5-11(15)10(8-9)14(16,17)18/h4-5,8,19H,2-3,6-7H2,1H3.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone?
[4-fluoro-3-(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 [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 107291162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).