3-chloro-N-cyclohexyl-2-fluoroaniline

C12H15ClFN — CID 28968819

IUPAC3-chloro-N-cyclohexyl-2-fluoroaniline
SMILESFc1c(Cl)cccc1NC1CCCCC1
InChIInChI=1S/C12H15ClFN/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h4,7-9,15H,1-3,5-6H2
InChIKeyAKJSRUKAVQAHCU-UHFFFAOYSA-N
MW227.71 g/mol
LogP4.22
Rot. Bonds2

About 3-chloro-N-cyclohexyl-2-fluoroaniline

3-chloro-N-cyclohexyl-2-fluoroaniline (PubChem CID 28968819) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 3-chloro-N-cyclohexyl-2-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-cyclohexyl-2-fluoroaniline
PubChem CID28968819
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name3-chloro-N-cyclohexyl-2-fluoroaniline
SMILESFc1c(Cl)cccc1NC1CCCCC1
InChIInChI=1S/C12H15ClFN/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h4,7-9,15H,1-3,5-6H2
InChIKeyAKJSRUKAVQAHCU-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-chloro-N-cyclohexyl-2-methylaniline
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2,6-dichloro-N-cyclohexylaniline
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N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine
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N-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine
CID 43123013
N-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43772940
3-chloro-2-fluoro-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63422219
[2-chloro-6-(cyclopentylamino)phenyl]-oxoazanium
CID 176714234
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
3-chloro-N-cyclopentyl-2-methoxyaniline
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclohexyl-2-fluoroaniline?
The IUPAC name of 3-chloro-N-cyclohexyl-2-fluoroaniline (CID 28968819) is 3-chloro-N-cyclohexyl-2-fluoroaniline.
What is the SMILES notation for 3-chloro-N-cyclohexyl-2-fluoroaniline?
The canonical SMILES for 3-chloro-N-cyclohexyl-2-fluoroaniline is Fc1c(Cl)cccc1NC1CCCCC1.
What is the InChIKey of 3-chloro-N-cyclohexyl-2-fluoroaniline?
The InChIKey is AKJSRUKAVQAHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h4,7-9,15H,1-3,5-6H2.
What are the key properties of 3-chloro-N-cyclohexyl-2-fluoroaniline?
3-chloro-N-cyclohexyl-2-fluoroaniline has a molecular weight of 227.71 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclohexyl-2-fluoroaniline is sourced from PubChem (CID 28968819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).