N-cyclohexyl-4-fluoro-2-iodoaniline

C12H15FIN — CID 79769123

IUPACN-cyclohexyl-4-fluoro-2-iodoaniline
SMILESFc1ccc(NC2CCCCC2)c(I)c1
InChIInChI=1S/C12H15FIN/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2
InChIKeyCOOMPVFQVZTCCJ-UHFFFAOYSA-N
MW319.16 g/mol
LogP4.17
Rot. Bonds2

About N-cyclohexyl-4-fluoro-2-iodoaniline

N-cyclohexyl-4-fluoro-2-iodoaniline (PubChem CID 79769123) has the molecular formula C12H15FIN and a molecular weight of 319.16 g/mol. Its IUPAC name is N-cyclohexyl-4-fluoro-2-iodoaniline.

Molecular Properties

Compound NameN-cyclohexyl-4-fluoro-2-iodoaniline
PubChem CID79769123
Molecular FormulaC12H15FIN
Molecular Weight319.16 g/mol
Exact Mass319.02
IUPAC NameN-cyclohexyl-4-fluoro-2-iodoaniline
SMILESFc1ccc(NC2CCCCC2)c(I)c1
InChIInChI=1S/C12H15FIN/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2
InChIKeyCOOMPVFQVZTCCJ-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-iodophenyl)cyclododecanamine
CID 79759180
4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline
CID 79769252
4-ethyl-N-(4-fluoro-2-iodophenyl)cycloheptan-1-amine
CID 79768490
N-(3,3-dimethylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79768980
4-chloro-N-cyclohexyl-2-iodoaniline
CID 107631445
N-(2-bromo-4-fluorophenyl)cyclooctanamine
CID 28939094
N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79769068
N-cyclohexyl-5-fluoro-2-methoxyaniline
CID 82539597
2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid
CID 82304125
N-cyclohexyl-4-fluoro-2-nitroaniline
CID 12793832
2-(cyclopentylamino)-4-fluorobenzoic acid
CID 82933177
N-(4-fluoro-2-iodophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79769381

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-fluoro-2-iodoaniline?
The IUPAC name of N-cyclohexyl-4-fluoro-2-iodoaniline (CID 79769123) is N-cyclohexyl-4-fluoro-2-iodoaniline.
What is the SMILES notation for N-cyclohexyl-4-fluoro-2-iodoaniline?
The canonical SMILES for N-cyclohexyl-4-fluoro-2-iodoaniline is Fc1ccc(NC2CCCCC2)c(I)c1.
What is the InChIKey of N-cyclohexyl-4-fluoro-2-iodoaniline?
The InChIKey is COOMPVFQVZTCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FIN/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2.
What are the key properties of N-cyclohexyl-4-fluoro-2-iodoaniline?
N-cyclohexyl-4-fluoro-2-iodoaniline has a molecular weight of 319.16 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-fluoro-2-iodoaniline is sourced from PubChem (CID 79769123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).