3-fluoro-2-iodo-N-pentan-2-ylaniline

C11H15FIN — CID 130498396

IUPAC3-fluoro-2-iodo-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1cccc(F)c1I
InChIInChI=1S/C11H15FIN/c1-3-5-8(2)14-10-7-4-6-9(12)11(10)13/h4,6-8,14H,3,5H2,1-2H3
InChIKeyHLXDARFNORCWTD-UHFFFAOYSA-N
MW307.15 g/mol
LogP4.03
Rot. Bonds4

About 3-fluoro-2-iodo-N-pentan-2-ylaniline

3-fluoro-2-iodo-N-pentan-2-ylaniline (PubChem CID 130498396) has the molecular formula C11H15FIN and a molecular weight of 307.15 g/mol. Its IUPAC name is 3-fluoro-2-iodo-N-pentan-2-ylaniline.

Molecular Properties

Compound Name3-fluoro-2-iodo-N-pentan-2-ylaniline
PubChem CID130498396
Molecular FormulaC11H15FIN
Molecular Weight307.15 g/mol
Exact Mass307.02
IUPAC Name3-fluoro-2-iodo-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1cccc(F)c1I
InChIInChI=1S/C11H15FIN/c1-3-5-8(2)14-10-7-4-6-9(12)11(10)13/h4,6-8,14H,3,5H2,1-2H3
InChIKeyHLXDARFNORCWTD-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 54.03
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

3-fluoro-2-iodo-N-octan-2-ylaniline
CID 114258341
2,3-difluoro-N-pentan-2-ylaniline
CID 61074639
4-fluoro-2-iodo-N-pentan-2-ylaniline
CID 79769228
3-fluoro-1-N-heptan-2-ylbenzene-1,2-diamine
CID 61464315
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-fluoro-2-iodoaniline
CID 114258374
2-fluoro-6-(heptan-2-ylamino)benzoic acid
CID 79522598
N-[(2,6-difluorophenyl)methyl]pentan-2-amine
CID 43177727
2-chloro-5-fluoro-N-pentan-2-ylaniline
CID 107527281
3-chloro-1-N-pentan-2-ylbenzene-1,2-diamine
CID 104833946
3-fluoro-N-heptan-2-yl-2-nitroaniline
CID 55220443
2-(2-fluoroanilino)-N-pentan-2-ylpropanamide
CID 43113411
2,6-difluoro-N-heptan-2-ylaniline
CID 43123890

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-iodo-N-pentan-2-ylaniline?
The IUPAC name of 3-fluoro-2-iodo-N-pentan-2-ylaniline (CID 130498396) is 3-fluoro-2-iodo-N-pentan-2-ylaniline.
What is the SMILES notation for 3-fluoro-2-iodo-N-pentan-2-ylaniline?
The canonical SMILES for 3-fluoro-2-iodo-N-pentan-2-ylaniline is CCCC(C)Nc1cccc(F)c1I.
What is the InChIKey of 3-fluoro-2-iodo-N-pentan-2-ylaniline?
The InChIKey is HLXDARFNORCWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FIN/c1-3-5-8(2)14-10-7-4-6-9(12)11(10)13/h4,6-8,14H,3,5H2,1-2H3.
What are the key properties of 3-fluoro-2-iodo-N-pentan-2-ylaniline?
3-fluoro-2-iodo-N-pentan-2-ylaniline has a molecular weight of 307.15 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-iodo-N-pentan-2-ylaniline is sourced from PubChem (CID 130498396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).