2-chloro-N-cyclohex-2-en-1-yl-5-fluoroaniline

C12H13ClFN — CID 107908419

IUPAC2-chloro-N-cyclohex-2-en-1-yl-5-fluoroaniline
SMILESFc1ccc(Cl)c(NC2C=CCCC2)c1
InChIInChI=1S/C12H13ClFN/c13-11-7-6-9(14)8-12(11)15-10-4-2-1-3-5-10/h2,4,6-8,10,15H,1,3,5H2
InChIKeyHBEYMBYEUXURBL-UHFFFAOYSA-N
MW225.69 g/mol
LogP4.00
Rot. Bonds2

About 2-chloro-N-cyclohex-2-en-1-yl-5-fluoroaniline

2-chloro-N-cyclohex-2-en-1-yl-5-fluoroaniline (PubChem CID 107908419) has the molecular formula C12H13ClFN and a molecular weight of 225.69 g/mol. Its IUPAC name is 2-chloro-N-cyclohex-2-en-1-yl-5-fluoroaniline.

Molecular Properties

Compound Name2-chloro-N-cyclohex-2-en-1-yl-5-fluoroaniline
PubChem CID107908419
Molecular FormulaC12H13ClFN
Molecular Weight225.69 g/mol
Exact Mass225.07
IUPAC Name2-chloro-N-cyclohex-2-en-1-yl-5-fluoroaniline
SMILESFc1ccc(Cl)c(NC2C=CCCC2)c1
InChIInChI=1S/C12H13ClFN/c13-11-7-6-9(14)8-12(11)15-10-4-2-1-3-5-10/h2,4,6-8,10,15H,1,3,5H2
InChIKeyHBEYMBYEUXURBL-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.69
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-cyclohex-2-en-1-yl-4-fluoroaniline
CID 107908426
trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol
CID 107528235
2-chloro-5-fluoro-N-(3-methylcyclohexyl)aniline
CID 107527568
2-chloro-5-fluoro-N-(2-methylcyclohexyl)aniline
CID 107527174
N-(2-chloro-5-fluorophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 107527132
N-[(5-fluoro-2-methylphenyl)methyl]cyclohex-2-en-1-amine
CID 115968267
3-(2-chloro-5-fluoroanilino)cyclohexane-1-carboxylic acid
CID 107527659
2-chloro-N-(2,2-dimethylcyclopentyl)-5-fluoroaniline
CID 107527334
(1S)-N-[(4-fluorophenyl)methyl]cyclohex-2-en-1-amine
CID 122395364
1-(2-chloro-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 107527595
N-cyclohex-2-en-1-yl-2-methylsulfonylaniline
CID 71920706
(2E)-N-(2-methylsulfanylphenyl)cyclooct-2-en-1-amine
CID 114227908

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohex-2-en-1-yl-5-fluoroaniline?
The IUPAC name of 2-chloro-N-cyclohex-2-en-1-yl-5-fluoroaniline (CID 107908419) is 2-chloro-N-cyclohex-2-en-1-yl-5-fluoroaniline.
What is the SMILES notation for 2-chloro-N-cyclohex-2-en-1-yl-5-fluoroaniline?
The canonical SMILES for 2-chloro-N-cyclohex-2-en-1-yl-5-fluoroaniline is Fc1ccc(Cl)c(NC2C=CCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclohex-2-en-1-yl-5-fluoroaniline?
The InChIKey is HBEYMBYEUXURBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN/c13-11-7-6-9(14)8-12(11)15-10-4-2-1-3-5-10/h2,4,6-8,10,15H,1,3,5H2.
What are the key properties of 2-chloro-N-cyclohex-2-en-1-yl-5-fluoroaniline?
2-chloro-N-cyclohex-2-en-1-yl-5-fluoroaniline has a molecular weight of 225.69 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohex-2-en-1-yl-5-fluoroaniline is sourced from PubChem (CID 107908419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).