2-amino-2-(2-chloro-3-fluorophenyl)cyclohexan-1-one

C12H13ClFNO — CID 166124265

IUPAC2-amino-2-(2-chloro-3-fluorophenyl)cyclohexan-1-one
SMILESNC1(c2cccc(F)c2Cl)CCCCC1=O
InChIInChI=1S/C12H13ClFNO/c13-11-8(4-3-5-9(11)14)12(15)7-2-1-6-10(12)16/h3-5H,1-2,6-7,15H2
InChIKeyVWMDWSCJOQPVRY-UHFFFAOYSA-N
MW241.69 g/mol
LogP2.78
Rot. Bonds1

About 2-amino-2-(2-chloro-3-fluorophenyl)cyclohexan-1-one

2-amino-2-(2-chloro-3-fluorophenyl)cyclohexan-1-one (PubChem CID 166124265) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 2-amino-2-(2-chloro-3-fluorophenyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-amino-2-(2-chloro-3-fluorophenyl)cyclohexan-1-one
PubChem CID166124265
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name2-amino-2-(2-chloro-3-fluorophenyl)cyclohexan-1-one
SMILESNC1(c2cccc(F)c2Cl)CCCCC1=O
InChIInChI=1S/C12H13ClFNO/c13-11-8(4-3-5-9(11)14)12(15)7-2-1-6-10(12)16/h3-5H,1-2,6-7,15H2
InChIKeyVWMDWSCJOQPVRY-UHFFFAOYSA-N
XLogP2.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride
CID 25195026
1-(2-chloro-3-fluorophenyl)cyclohexan-1-amine
CID 117327946
2-amino-2-[2-fluoro-3-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 139573709
(2R)-2-amino-2-(2-methylphenyl)cyclohexan-1-one
CID 156538428
2-amino-2-(2-fluoro-5-methylphenyl)cyclohexan-1-one
CID 159652765
5-[(2-chloro-3-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 115983446
(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
2-amino-2-(2-chloro-3,4,5,6-tetradeuteriophenyl)cyclohexan-1-one
CID 71751218
1-[5-(2-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 81462151
2-amino-2-(2-chloro-4-methoxyphenyl)cyclohexan-1-one
CID 166124236
2-amino-2-[3-(trifluoromethyl)phenyl]cyclohexan-1-one
CID 139573660
(2R)-2-(2-fluorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride
CID 171381722

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-chloro-3-fluorophenyl)cyclohexan-1-one?
The IUPAC name of 2-amino-2-(2-chloro-3-fluorophenyl)cyclohexan-1-one (CID 166124265) is 2-amino-2-(2-chloro-3-fluorophenyl)cyclohexan-1-one.
What is the SMILES notation for 2-amino-2-(2-chloro-3-fluorophenyl)cyclohexan-1-one?
The canonical SMILES for 2-amino-2-(2-chloro-3-fluorophenyl)cyclohexan-1-one is NC1(c2cccc(F)c2Cl)CCCCC1=O.
What is the InChIKey of 2-amino-2-(2-chloro-3-fluorophenyl)cyclohexan-1-one?
The InChIKey is VWMDWSCJOQPVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c13-11-8(4-3-5-9(11)14)12(15)7-2-1-6-10(12)16/h3-5H,1-2,6-7,15H2.
What are the key properties of 2-amino-2-(2-chloro-3-fluorophenyl)cyclohexan-1-one?
2-amino-2-(2-chloro-3-fluorophenyl)cyclohexan-1-one has a molecular weight of 241.69 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-chloro-3-fluorophenyl)cyclohexan-1-one is sourced from PubChem (CID 166124265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).