(1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride

C11H14ClFIN — CID 171216202

IUPAC(1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1cc(I)ccc1F.Cl
InChIInChI=1S/C11H13FIN.ClH/c1-2-3-4-11(14)9-7-8(13)5-6-10(9)12;/h2,5-7,11H,1,3-4,14H2;1H/t11-;/m1./s1
InChIKeyZOCROZRMIXHOLN-RFVHGSKJSA-N
MW341.60 g/mol
LogP3.82
Rot. Bonds4

About (1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride

(1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride (PubChem CID 171216202) has the molecular formula C11H14ClFIN and a molecular weight of 341.60 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride
PubChem CID171216202
Molecular FormulaC11H14ClFIN
Molecular Weight341.60 g/mol
Exact Mass340.98
IUPAC Name(1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@@H](N)c1cc(I)ccc1F.Cl
InChIInChI=1S/C11H13FIN.ClH/c1-2-3-4-11(14)9-7-8(13)5-6-10(9)12;/h2,5-7,11H,1,3-4,14H2;1H/t11-;/m1./s1
InChIKeyZOCROZRMIXHOLN-RFVHGSKJSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.60
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine
CID 131016633
(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204037
1-(5-bromo-2-fluorophenyl)pent-4-en-1-amine
CID 114894567
(1S)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
CID 171223608
(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine
CID 171204036
(3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
CID 171216211
(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)pentan-1-amine;hydrochloride
CID 171216184
(4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride
CID 171216213
(1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine
CID 171235810
(1S)-1-(2-fluoro-5-iodophenyl)hexan-1-amine;hydrochloride
CID 171235820

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride (CID 171216202) is (1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride is C=CCC[C@@H](N)c1cc(I)ccc1F.Cl.
What is the InChIKey of (1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride?
The InChIKey is ZOCROZRMIXHOLN-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H13FIN.ClH/c1-2-3-4-11(14)9-7-8(13)5-6-10(9)12;/h2,5-7,11H,1,3-4,14H2;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride?
(1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride has a molecular weight of 341.60 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 171216202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).