(1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine

C8H10FIN2 — CID 130737703

IUPAC(1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine
SMILESNC[C@H](N)c1ccc(I)cc1F
InChIInChI=1S/C8H10FIN2/c9-7-3-5(10)1-2-6(7)8(12)4-11/h1-3,8H,4,11-12H2/t8-/m0/s1
InChIKeyXIUOGSQZGUCYDY-QMMMGPOBSA-N
MW280.08 g/mol
LogP1.39
Rot. Bonds2

About (1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine

(1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine (PubChem CID 130737703) has the molecular formula C8H10FIN2 and a molecular weight of 280.08 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine
PubChem CID130737703
Molecular FormulaC8H10FIN2
Molecular Weight280.08 g/mol
Exact Mass279.99
IUPAC Name(1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine
SMILESNC[C@H](N)c1ccc(I)cc1F
InChIInChI=1S/C8H10FIN2/c9-7-3-5(10)1-2-6(7)8(12)4-11/h1-3,8H,4,11-12H2/t8-/m0/s1
InChIKeyXIUOGSQZGUCYDY-QMMMGPOBSA-N
XLogP1.39
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.08
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-fluoro-4-iodophenyl)but-3-en-1-amine
CID 131151148
(1S)-1-(4-amino-2-fluorophenyl)ethane-1,2-diamine
CID 55275012
(1R)-1-(4-chloro-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171222464
(1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine
CID 131016633
(1R)-2,2,2-trifluoro-1-(2-fluoro-4-iodophenyl)ethanamine
CID 66512608
(1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine
CID 171235808
(2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid
CID 66513291
(1R)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine
CID 171216174
(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 66516599
(1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine
CID 171235810
(3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
CID 171216211
(4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride
CID 171216213

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine?
The IUPAC name of (1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine (CID 130737703) is (1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine is NC[C@H](N)c1ccc(I)cc1F.
What is the InChIKey of (1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine?
The InChIKey is XIUOGSQZGUCYDY-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10FIN2/c9-7-3-5(10)1-2-6(7)8(12)4-11/h1-3,8H,4,11-12H2/t8-/m0/s1.
What are the key properties of (1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine?
(1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine has a molecular weight of 280.08 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine is sourced from PubChem (CID 130737703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).