(4-chlorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone

C17H15ClF3NO2 — CID 10089732

IUPAC(4-chlorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(c2ccc(C(F)(F)F)o2)CC1
InChIInChI=1S/C17H15ClF3NO2/c18-13-3-1-11(2-4-13)16(23)12-7-9-22(10-8-12)15-6-5-14(24-15)17(19,20)21/h1-6,12H,7-10H2
InChIKeyQTCHRNHZICMERT-UHFFFAOYSA-N
MW357.76 g/mol
LogP5.05
Rot. Bonds3

About (4-chlorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone

(4-chlorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone (PubChem CID 10089732) has the molecular formula C17H15ClF3NO2 and a molecular weight of 357.76 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone
PubChem CID10089732
Molecular FormulaC17H15ClF3NO2
Molecular Weight357.76 g/mol
Exact Mass357.07
IUPAC Name(4-chlorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(c2ccc(C(F)(F)F)o2)CC1
InChIInChI=1S/C17H15ClF3NO2/c18-13-3-1-11(2-4-13)16(23)12-7-9-22(10-8-12)15-6-5-14(24-15)17(19,20)21/h1-6,12H,7-10H2
InChIKeyQTCHRNHZICMERT-UHFFFAOYSA-N
XLogP5.05
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.76
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(1-Azepanyl)-2-furyl]-2-(4-chlorophenyl)acrylonitrile
CID 2201553
2-(4-Chloro-phenyl)-3-(5-morpholin-4-yl-furan-2-yl)-acrylonitrile
CID 1918048
N-[5-(4-chlorophenyl)furan-2-yl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 137638434
1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]piperidine-4-carboxamide
CID 129626152
5-(4-Chlorophenyl)-2-[(2-hydroxyethyl)methylamino]-3-(trifluoromethyl)furan
CID 45119615
3-(5-(4-Chlorophenyl)-2-furyl)-N-(2-(trifluoromethyl)phenyl)propanamide
CID 24212534
3-(5-(4-Chlorophenyl)-2-furyl)-N-(3-(trifluoromethyl)phenyl)propanamide
CID 24212536
N-benzyl-5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-amine
CID 15503025
(4-Fluorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone
CID 10359949
N,2-Dimethyl-N-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}propanamide
CID 23341623
N-butyl-2-methyl-N-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]propanamide
CID 53883272
1-ethyl-N-methyl-N-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]piperidin-4-amine
CID 69158630

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone (CID 10089732) is (4-chlorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone is O=C(c1ccc(Cl)cc1)C1CCN(c2ccc(C(F)(F)F)o2)CC1.
What is the InChIKey of (4-chlorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone?
The InChIKey is QTCHRNHZICMERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO2/c18-13-3-1-11(2-4-13)16(23)12-7-9-22(10-8-12)15-6-5-14(24-15)17(19,20)21/h1-6,12H,7-10H2.
What are the key properties of (4-chlorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone?
(4-chlorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone has a molecular weight of 357.76 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-[5-(trifluoromethyl)furan-2-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 10089732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).