(2-chloro-6-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C17H15ClF2N2O — CID 17173868

IUPAC(2-chloro-6-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H15ClF2N2O/c18-12-4-3-6-14(20)16(12)17(23)22-10-8-21(9-11-22)15-7-2-1-5-13(15)19/h1-7H,8-11H2
InChIKeyIQKJELHHEFBMJD-UHFFFAOYSA-N
MW336.77 g/mol
LogP3.58
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(2-chloro-6-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 17173868) has the molecular formula C17H15ClF2N2O and a molecular weight of 336.77 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID17173868
Molecular FormulaC17H15ClF2N2O
Molecular Weight336.77 g/mol
Exact Mass336.08
IUPAC Name(2-chloro-6-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H15ClF2N2O/c18-12-4-3-6-14(20)16(12)17(23)22-10-8-21(9-11-22)15-7-2-1-5-13(15)19/h1-7H,8-11H2
InChIKeyIQKJELHHEFBMJD-UHFFFAOYSA-N
XLogP3.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.77
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 17173868) is (2-chloro-6-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1c(F)cccc1Cl)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is IQKJELHHEFBMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O/c18-12-4-3-6-14(20)16(12)17(23)22-10-8-21(9-11-22)15-7-2-1-5-13(15)19/h1-7H,8-11H2.
What are the key properties of (2-chloro-6-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(2-chloro-6-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 336.77 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17173868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).