(1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine

C9H12FIN2 — CID 131016633

IUPAC(1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine
SMILESNCC[C@@H](N)c1cc(I)ccc1F
InChIInChI=1S/C9H12FIN2/c10-8-2-1-6(11)5-7(8)9(13)3-4-12/h1-2,5,9H,3-4,12-13H2/t9-/m1/s1
InChIKeyMIWOIHHABDRTKH-SECBINFHSA-N
MW294.11 g/mol
LogP1.78
Rot. Bonds3

About (1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine

(1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine (PubChem CID 131016633) has the molecular formula C9H12FIN2 and a molecular weight of 294.11 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine
PubChem CID131016633
Molecular FormulaC9H12FIN2
Molecular Weight294.11 g/mol
Exact Mass294.00
IUPAC Name(1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine
SMILESNCC[C@@H](N)c1cc(I)ccc1F
InChIInChI=1S/C9H12FIN2/c10-8-2-1-6(11)5-7(8)9(13)3-4-12/h1-2,5,9H,3-4,12-13H2/t9-/m1/s1
InChIKeyMIWOIHHABDRTKH-SECBINFHSA-N
XLogP1.78
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 51.78
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

(1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine
CID 171235808
(1R)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine
CID 171216174
(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
(1R)-1-(2-fluoro-5-iodophenyl)pentan-1-amine;hydrochloride
CID 171216184
(1S)-1-(2-fluoro-5-iodophenyl)hexan-1-amine;hydrochloride
CID 171235820
(1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride
CID 171216202
(1S)-1-(2-fluoro-5-iodophenyl)ethanamine
CID 131032773
(1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine
CID 130737703
(1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine
CID 131075545
1-(5-chloro-2-fluorophenyl)butane-1,4-diamine
CID 116933749

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine?
The IUPAC name of (1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine (CID 131016633) is (1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine.
What is the SMILES notation for (1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine?
The canonical SMILES for (1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine is NCC[C@@H](N)c1cc(I)ccc1F.
What is the InChIKey of (1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine?
The InChIKey is MIWOIHHABDRTKH-SECBINFHSA-N. The full InChI is InChI=1S/C9H12FIN2/c10-8-2-1-6(11)5-7(8)9(13)3-4-12/h1-2,5,9H,3-4,12-13H2/t9-/m1/s1.
What are the key properties of (1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine?
(1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine has a molecular weight of 294.11 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine is sourced from PubChem (CID 131016633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).