(2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;(2S)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;1-chloro-2-(cyclohexen-1-yl)benzene;molecular fluorine

C36H41Cl3F26N2O2 — CID 158231024

IUPAC(2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;(2S)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;1-chloro-2-(cyclohexen-1-yl)benzene;molecular fluorine
SMILESClc1ccccc1C1=CCCCC1.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.N[C@@]1(c2ccccc2Cl)CCCCC1=O.N[C@]1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/2C12H14ClNO.C12H13Cl.13F2/c2*13-10-6-2-1-5-9(10)12(14)8-4-3-7-11(12)15;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;13*1-2/h2*1-2,5-6H,3-4,7-8,14H2;4-6,8-9H,1-3,7H2;;;;;;;;;;;;;/t2*12-;;;;;;;;;;;;;;/m10............../s1
InChIKeyGEJPVYVFKMAGKM-BZMLMLJESA-N
MW1134.04 g/mol
LogP20.50
Rot. Bonds3

About (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;(2S)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;1-chloro-2-(cyclohexen-1-yl)benzene;molecular fluorine

(2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;(2S)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;1-chloro-2-(cyclohexen-1-yl)benzene;molecular fluorine (PubChem CID 158231024) has the molecular formula C36H41Cl3F26N2O2 and a molecular weight of 1134.04 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;(2S)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;1-chloro-2-(cyclohexen-1-yl)benzene;molecular fluorine.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;(2S)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;1-chloro-2-(cyclohexen-1-yl)benzene;molecular fluorine
PubChem CID158231024
Molecular FormulaC36H41Cl3F26N2O2
Molecular Weight1134.04 g/mol
Exact Mass1132.18
IUPAC Name(2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;(2S)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;1-chloro-2-(cyclohexen-1-yl)benzene;molecular fluorine
SMILESClc1ccccc1C1=CCCCC1.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.N[C@@]1(c2ccccc2Cl)CCCCC1=O.N[C@]1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/2C12H14ClNO.C12H13Cl.13F2/c2*13-10-6-2-1-5-9(10)12(14)8-4-3-7-11(12)15;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;13*1-2/h2*1-2,5-6H,3-4,7-8,14H2;4-6,8-9H,1-3,7H2;;;;;;;;;;;;;/t2*12-;;;;;;;;;;;;;;/m10............../s1
InChIKeyGEJPVYVFKMAGKM-BZMLMLJESA-N
XLogP20.50
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001134.04
LogP ≤ 520.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;(2S)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;1-chloro-2-(cyclohexen-1-yl)benzene;molecular fluorine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;(2S)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;1-chloro-2-(cyclohexen-1-yl)benzene;molecular fluorine?
The IUPAC name of (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;(2S)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;1-chloro-2-(cyclohexen-1-yl)benzene;molecular fluorine (CID 158231024) is (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;(2S)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;1-chloro-2-(cyclohexen-1-yl)benzene;molecular fluorine.
What is the SMILES notation for (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;(2S)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;1-chloro-2-(cyclohexen-1-yl)benzene;molecular fluorine?
The canonical SMILES for (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;(2S)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;1-chloro-2-(cyclohexen-1-yl)benzene;molecular fluorine is Clc1ccccc1C1=CCCCC1.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.N[C@@]1(c2ccccc2Cl)CCCCC1=O.N[C@]1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;(2S)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;1-chloro-2-(cyclohexen-1-yl)benzene;molecular fluorine?
The InChIKey is GEJPVYVFKMAGKM-BZMLMLJESA-N. The full InChI is InChI=1S/2C12H14ClNO.C12H13Cl.13F2/c2*13-10-6-2-1-5-9(10)12(14)8-4-3-7-11(12)15;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;13*1-2/h2*1-2,5-6H,3-4,7-8,14H2;4-6,8-9H,1-3,7H2;;;;;;;;;;;;;/t2*12-;;;;;;;;;;;;;;/m10............../s1.
What are the key properties of (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;(2S)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;1-chloro-2-(cyclohexen-1-yl)benzene;molecular fluorine?
(2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;(2S)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;1-chloro-2-(cyclohexen-1-yl)benzene;molecular fluorine has a molecular weight of 1134.04 g/mol, XLogP of 20.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;(2S)-2-amino-2-(2-chlorophenyl)cyclohexan-1-one;1-chloro-2-(cyclohexen-1-yl)benzene;molecular fluorine is sourced from PubChem (CID 158231024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).