4-(2-fluoro-4-iodophenyl)butan-2-amine

C10H13FIN — CID 130053939

IUPAC4-(2-fluoro-4-iodophenyl)butan-2-amine
SMILESCC(N)CCc1ccc(I)cc1F
InChIInChI=1S/C10H13FIN/c1-7(13)2-3-8-4-5-9(12)6-10(8)11/h4-7H,2-3,13H2,1H3
InChIKeyCPUYYTIUPXQLMO-UHFFFAOYSA-N
MW293.12 g/mol
LogP2.71
Rot. Bonds3

About 4-(2-fluoro-4-iodophenyl)butan-2-amine

4-(2-fluoro-4-iodophenyl)butan-2-amine (PubChem CID 130053939) has the molecular formula C10H13FIN and a molecular weight of 293.12 g/mol. Its IUPAC name is 4-(2-fluoro-4-iodophenyl)butan-2-amine.

Molecular Properties

Compound Name4-(2-fluoro-4-iodophenyl)butan-2-amine
PubChem CID130053939
Molecular FormulaC10H13FIN
Molecular Weight293.12 g/mol
Exact Mass293.01
IUPAC Name4-(2-fluoro-4-iodophenyl)butan-2-amine
SMILESCC(N)CCc1ccc(I)cc1F
InChIInChI=1S/C10H13FIN/c1-7(13)2-3-8-4-5-9(12)6-10(8)11/h4-7H,2-3,13H2,1H3
InChIKeyCPUYYTIUPXQLMO-UHFFFAOYSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.71
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

4-(4-fluoro-2-iodophenyl)butan-2-amine
CID 130054391
CID 155601347
CID 155601347
2-(2-fluoro-4-iodophenyl)ethylsilane
CID 157209977
(2R)-4-(2,3-difluorophenyl)butan-2-amine
CID 93318671
4-(2,3-difluoro-4-methylphenyl)butan-2-amine
CID 107514336
2-(3-aminobutyl)-4,5-difluorophenol
CID 141202950
phosphoric acid;4-(2,4,5-trifluorophenyl)butan-2-amine;hydrate
CID 89253544
3-(2-fluoro-4-iodophenyl)propanoic acid
CID 91883071
2-(3-aminobutyl)-4-fluoroaniline
CID 105440162
(2R)-4-(2,4-dimethylphenyl)butan-2-amine
CID 95375920
(1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine
CID 131016633
(1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine
CID 130737703

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-iodophenyl)butan-2-amine?
The IUPAC name of 4-(2-fluoro-4-iodophenyl)butan-2-amine (CID 130053939) is 4-(2-fluoro-4-iodophenyl)butan-2-amine.
What is the SMILES notation for 4-(2-fluoro-4-iodophenyl)butan-2-amine?
The canonical SMILES for 4-(2-fluoro-4-iodophenyl)butan-2-amine is CC(N)CCc1ccc(I)cc1F.
What is the InChIKey of 4-(2-fluoro-4-iodophenyl)butan-2-amine?
The InChIKey is CPUYYTIUPXQLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FIN/c1-7(13)2-3-8-4-5-9(12)6-10(8)11/h4-7H,2-3,13H2,1H3.
What are the key properties of 4-(2-fluoro-4-iodophenyl)butan-2-amine?
4-(2-fluoro-4-iodophenyl)butan-2-amine has a molecular weight of 293.12 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-iodophenyl)butan-2-amine is sourced from PubChem (CID 130053939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).