(1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine

C11H16FIN2 — CID 171235810

IUPAC(1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine
SMILESNCCCC[C@H](N)c1cc(I)ccc1F
InChIInChI=1S/C11H16FIN2/c12-10-5-4-8(13)7-9(10)11(15)3-1-2-6-14/h4-5,7,11H,1-3,6,14-15H2/t11-/m0/s1
InChIKeyLJHYWYKPAMRCKA-NSHDSACASA-N
MW322.17 g/mol
LogP2.56
Rot. Bonds5

About (1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine

(1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine (PubChem CID 171235810) has the molecular formula C11H16FIN2 and a molecular weight of 322.17 g/mol. Its IUPAC name is (1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine.

Molecular Properties

Compound Name(1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine
PubChem CID171235810
Molecular FormulaC11H16FIN2
Molecular Weight322.17 g/mol
Exact Mass322.03
IUPAC Name(1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine
SMILESNCCCC[C@H](N)c1cc(I)ccc1F
InChIInChI=1S/C11H16FIN2/c12-10-5-4-8(13)7-9(10)11(15)3-1-2-6-14/h4-5,7,11H,1-3,6,14-15H2/t11-/m0/s1
InChIKeyLJHYWYKPAMRCKA-NSHDSACASA-N
XLogP2.56
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
(1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine
CID 131016633
(1S)-1-(2-fluoro-5-iodophenyl)hexan-1-amine;hydrochloride
CID 171235820
(1R)-1-(2-fluoro-5-iodophenyl)pentan-1-amine;hydrochloride
CID 171216184
(4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride
CID 171216213
(1R)-1-(2,5-difluorophenyl)pentane-1,5-diamine
CID 171204239
(3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
CID 171216211
(1S)-1-(2,5-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171223814
(1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride
CID 171216202
(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171209520
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine?
The IUPAC name of (1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine (CID 171235810) is (1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine.
What is the SMILES notation for (1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine?
The canonical SMILES for (1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine is NCCCC[C@H](N)c1cc(I)ccc1F.
What is the InChIKey of (1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine?
The InChIKey is LJHYWYKPAMRCKA-NSHDSACASA-N. The full InChI is InChI=1S/C11H16FIN2/c12-10-5-4-8(13)7-9(10)11(15)3-1-2-6-14/h4-5,7,11H,1-3,6,14-15H2/t11-/m0/s1.
What are the key properties of (1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine?
(1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine has a molecular weight of 322.17 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine is sourced from PubChem (CID 171235810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).