3-chloro-N-cyclopentyl-5-fluoroaniline

C11H13ClFN — CID 115743691

IUPAC3-chloro-N-cyclopentyl-5-fluoroaniline
SMILESFc1cc(Cl)cc(NC2CCCC2)c1
InChIInChI=1S/C11H13ClFN/c12-8-5-9(13)7-11(6-8)14-10-3-1-2-4-10/h5-7,10,14H,1-4H2
InChIKeyJWJFSGFEAHZUQK-UHFFFAOYSA-N
MW213.68 g/mol
LogP3.83
Rot. Bonds2

About 3-chloro-N-cyclopentyl-5-fluoroaniline

3-chloro-N-cyclopentyl-5-fluoroaniline (PubChem CID 115743691) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-5-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-5-fluoroaniline
PubChem CID115743691
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name3-chloro-N-cyclopentyl-5-fluoroaniline
SMILESFc1cc(Cl)cc(NC2CCCC2)c1
InChIInChI=1S/C11H13ClFN/c12-8-5-9(13)7-11(6-8)14-10-3-1-2-4-10/h5-7,10,14H,1-4H2
InChIKeyJWJFSGFEAHZUQK-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-5-fluoro-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 107363988
3-N-(3-chloro-5-fluorophenyl)cyclopentane-1,3-diamine
CID 107364181
3-chloro-5-fluoro-N-(4-propylcyclohexyl)aniline
CID 107364276
3-chloro-5-fluoro-N-(4-phenylcyclohexyl)aniline
CID 107364123
4-(3-chloro-5-fluoroanilino)azepan-2-one
CID 107364697
3-chloro-N-(3,3-dimethylcyclopentyl)-5-fluoroaniline
CID 107363930
N-(3-chloro-5-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 103818356
N-(3-chloro-5-fluorophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 107365132
N-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107364341
3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline
CID 107364297
3-chloro-N-cyclopentyl-4-fluoroaniline
CID 28938400
3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline
CID 107364208

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopentyl-5-fluoroaniline?
The IUPAC name of 3-chloro-N-cyclopentyl-5-fluoroaniline (CID 115743691) is 3-chloro-N-cyclopentyl-5-fluoroaniline.
What is the SMILES notation for 3-chloro-N-cyclopentyl-5-fluoroaniline?
The canonical SMILES for 3-chloro-N-cyclopentyl-5-fluoroaniline is Fc1cc(Cl)cc(NC2CCCC2)c1.
What is the InChIKey of 3-chloro-N-cyclopentyl-5-fluoroaniline?
The InChIKey is JWJFSGFEAHZUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-8-5-9(13)7-11(6-8)14-10-3-1-2-4-10/h5-7,10,14H,1-4H2.
What are the key properties of 3-chloro-N-cyclopentyl-5-fluoroaniline?
3-chloro-N-cyclopentyl-5-fluoroaniline has a molecular weight of 213.68 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-5-fluoroaniline is sourced from PubChem (CID 115743691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).