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

C11H11ClF3NO2 — CID 113245179

IUPAC(5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)o1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H11ClF3NO2/c12-9-2-1-8(18-9)10(17)16-5-3-7(4-6-16)11(13,14)15/h1-2,7H,3-6H2
InChIKeyBLPODAQKMMMAQD-UHFFFAOYSA-N
MW281.66 g/mol
LogP3.35
Rot. Bonds1

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

(5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 113245179) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID113245179
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC Name(5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)o1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H11ClF3NO2/c12-9-2-1-8(18-9)10(17)16-5-3-7(4-6-16)11(13,14)15/h1-2,7H,3-6H2
InChIKeyBLPODAQKMMMAQD-UHFFFAOYSA-N
XLogP3.35
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 113226423
1,2-oxazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 171156342
(5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone
CID 106689868
(5-chlorofuran-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551638
(5-chlorofuran-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483493
[4-(1-aminoethyl)piperidin-1-yl]-(5-chlorofuran-2-yl)methanone;hydrochloride
CID 119520111
(5-chlorofuran-2-yl)-(9-hydroxy-3-azaspiro[5.5]undecan-3-yl)methanone
CID 128591781
(3-bromo-4-methylpiperidin-1-yl)-(5-chlorofuran-2-yl)methanone
CID 106690241
(5-chlorofuran-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 113236859
(5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492575
(5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 29421852
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-chlorofuran-2-yl)methanone
CID 80553743

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 113245179) is (5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)o1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of (5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is BLPODAQKMMMAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c12-9-2-1-8(18-9)10(17)16-5-3-7(4-6-16)11(13,14)15/h1-2,7H,3-6H2.
What are the key properties of (5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
(5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 281.66 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 113245179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).