(1R)-1-(2-fluoro-4-iodophenyl)but-3-en-1-amine

C10H11FIN — CID 131151148

IUPAC(1R)-1-(2-fluoro-4-iodophenyl)but-3-en-1-amine
SMILESC=CC[C@@H](N)c1ccc(I)cc1F
InChIInChI=1S/C10H11FIN/c1-2-3-10(13)8-5-4-7(12)6-9(8)11/h2,4-6,10H,1,3,13H2/t10-/m1/s1
InChIKeyKAXZTFIJNRBKLB-SNVBAGLBSA-N
MW291.11 g/mol
LogP3.01
Rot. Bonds3

About (1R)-1-(2-fluoro-4-iodophenyl)but-3-en-1-amine

(1R)-1-(2-fluoro-4-iodophenyl)but-3-en-1-amine (PubChem CID 131151148) has the molecular formula C10H11FIN and a molecular weight of 291.11 g/mol. Its IUPAC name is (1R)-1-(2-fluoro-4-iodophenyl)but-3-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-fluoro-4-iodophenyl)but-3-en-1-amine
PubChem CID131151148
Molecular FormulaC10H11FIN
Molecular Weight291.11 g/mol
Exact Mass290.99
IUPAC Name(1R)-1-(2-fluoro-4-iodophenyl)but-3-en-1-amine
SMILESC=CC[C@@H](N)c1ccc(I)cc1F
InChIInChI=1S/C10H11FIN/c1-2-3-10(13)8-5-4-7(12)6-9(8)11/h2,4-6,10H,1,3,13H2/t10-/m1/s1
InChIKeyKAXZTFIJNRBKLB-SNVBAGLBSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.11
LogP ≤ 53.01
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

(1S)-1-(2,4-difluorophenyl)but-3-en-1-amine
CID 95009988
(1S)-1-(2,4-difluorophenyl)but-3-en-1-amine;hydrochloride
CID 171218552
4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol
CID 55292217
(1R)-1-(4-chloro-2-fluorophenyl)but-3-en-1-amine;hydrochloride
CID 171202914
(1R)-1-(2-fluoro-4-iodophenyl)ethane-1,2-diamine
CID 130737703
(1S)-1-(5-iodo-2-methylphenyl)but-3-en-1-amine
CID 131128352
(1S)-1-(2-fluoro-4-methoxyphenyl)but-3-en-1-amine
CID 55269234
(1R)-1-(2-fluoro-4-methoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171200072
1-(5-chloro-2-fluorophenyl)but-3-en-1-amine
CID 55270710
(1R)-1-(4-chloro-2,5-difluorophenyl)but-3-en-1-amine
CID 130691292
(1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride
CID 171216202
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171209037

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluoro-4-iodophenyl)but-3-en-1-amine?
The IUPAC name of (1R)-1-(2-fluoro-4-iodophenyl)but-3-en-1-amine (CID 131151148) is (1R)-1-(2-fluoro-4-iodophenyl)but-3-en-1-amine.
What is the SMILES notation for (1R)-1-(2-fluoro-4-iodophenyl)but-3-en-1-amine?
The canonical SMILES for (1R)-1-(2-fluoro-4-iodophenyl)but-3-en-1-amine is C=CC[C@@H](N)c1ccc(I)cc1F.
What is the InChIKey of (1R)-1-(2-fluoro-4-iodophenyl)but-3-en-1-amine?
The InChIKey is KAXZTFIJNRBKLB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11FIN/c1-2-3-10(13)8-5-4-7(12)6-9(8)11/h2,4-6,10H,1,3,13H2/t10-/m1/s1.
What are the key properties of (1R)-1-(2-fluoro-4-iodophenyl)but-3-en-1-amine?
(1R)-1-(2-fluoro-4-iodophenyl)but-3-en-1-amine has a molecular weight of 291.11 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluoro-4-iodophenyl)but-3-en-1-amine is sourced from PubChem (CID 131151148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).