[2-fluoro-3-(trifluoromethyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

C17H20F4N2O — CID 119999427

IUPAC[2-fluoro-3-(trifluoromethyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(C(F)(F)F)c1F)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C17H20F4N2O/c18-15-12(3-1-4-13(15)17(19,20)21)16(24)23-9-6-11(7-10-23)14-5-2-8-22-14/h1,3-4,11,14,22H,2,5-10H2
InChIKeyVPWMEAGTTMAAHX-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.45
Rot. Bonds2

About [2-fluoro-3-(trifluoromethyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone

[2-fluoro-3-(trifluoromethyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 119999427) has the molecular formula C17H20F4N2O and a molecular weight of 344.35 g/mol. Its IUPAC name is [2-fluoro-3-(trifluoromethyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-fluoro-3-(trifluoromethyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID119999427
Molecular FormulaC17H20F4N2O
Molecular Weight344.35 g/mol
Exact Mass344.15
IUPAC Name[2-fluoro-3-(trifluoromethyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(C(F)(F)F)c1F)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C17H20F4N2O/c18-15-12(3-1-4-13(15)17(19,20)21)16(24)23-9-6-11(7-10-23)14-5-2-8-22-14/h1,3-4,11,14,22H,2,5-10H2
InChIKeyVPWMEAGTTMAAHX-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-fluoro-3-(trifluoromethyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 79885733
(2-iodophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999409
(4-pyrrolidin-2-ylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119999686
(5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259160
(2-chloro-4-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259329
2,3-dihydro-1,4-benzodioxin-5-yl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999606
(2,3-dimethoxyphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999366
[4-(3-aminopropoxy)piperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 86778691
[2-fluoro-3-(trifluoromethyl)phenyl]-(1,4-thiazepan-4-yl)methanone
CID 79885102
[2-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103532722
ethyl 1-[2-fluoro-3-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91730817
[4-(ethylaminomethyl)piperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 84587279

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(trifluoromethyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of [2-fluoro-3-(trifluoromethyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 119999427) is [2-fluoro-3-(trifluoromethyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-fluoro-3-(trifluoromethyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for [2-fluoro-3-(trifluoromethyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(c1cccc(C(F)(F)F)c1F)N1CCC(C2CCCN2)CC1.
What is the InChIKey of [2-fluoro-3-(trifluoromethyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is VPWMEAGTTMAAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F4N2O/c18-15-12(3-1-4-13(15)17(19,20)21)16(24)23-9-6-11(7-10-23)14-5-2-8-22-14/h1,3-4,11,14,22H,2,5-10H2.
What are the key properties of [2-fluoro-3-(trifluoromethyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone?
[2-fluoro-3-(trifluoromethyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 344.35 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(trifluoromethyl)phenyl]-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 119999427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).