2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile

C12H12FIN2 — CID 79769592

IUPAC2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Nc1ccc(F)cc1I
InChIInChI=1S/C12H12FIN2/c13-9-4-5-12(10(14)6-9)16-11-3-1-2-8(11)7-15/h4-6,8,11,16H,1-3H2
InChIKeyLOHMVRYOIWOZIS-UHFFFAOYSA-N
MW330.14 g/mol
LogP3.53
Rot. Bonds2

About 2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile

2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile (PubChem CID 79769592) has the molecular formula C12H12FIN2 and a molecular weight of 330.14 g/mol. Its IUPAC name is 2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile
PubChem CID79769592
Molecular FormulaC12H12FIN2
Molecular Weight330.14 g/mol
Exact Mass330.00
IUPAC Name2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1Nc1ccc(F)cc1I
InChIInChI=1S/C12H12FIN2/c13-9-4-5-12(10(14)6-9)16-11-3-1-2-8(11)7-15/h4-6,8,11,16H,1-3H2
InChIKeyLOHMVRYOIWOZIS-UHFFFAOYSA-N
XLogP3.53
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.14
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-iodoanilino)cyclopentane-1-carbonitrile
CID 107634993
N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79769068
2-(2-fluoro-4-methylanilino)cyclohexane-1-carbonitrile
CID 62743322
2-(2-chloro-4-iodoanilino)cyclohexane-1-carbonitrile
CID 107606392
2-(2,5-difluoro-4-methylanilino)cyclopentane-1-carbonitrile
CID 103585701
N-cyclohexyl-4-fluoro-2-iodoaniline
CID 79769123
N-(4-fluoro-2-iodophenyl)cyclododecanamine
CID 79759180
2-(4-bromo-2-chloroanilino)cyclopentane-1-carbonitrile
CID 62743205
2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile
CID 62742205
2-(3,4,5-trifluoroanilino)cyclopentane-1-carbonitrile
CID 62810465
2-(2,4-dichloroanilino)cyclohexane-1-carbonitrile
CID 62742203
2-(2,5-difluoro-4-methylanilino)cyclohexane-1-carbonitrile
CID 103585556

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile (CID 79769592) is 2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile is N#CC1CCCC1Nc1ccc(F)cc1I.
What is the InChIKey of 2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile?
The InChIKey is LOHMVRYOIWOZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FIN2/c13-9-4-5-12(10(14)6-9)16-11-3-1-2-8(11)7-15/h4-6,8,11,16H,1-3H2.
What are the key properties of 2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile?
2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile has a molecular weight of 330.14 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-iodoanilino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79769592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).