(1S)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride

C9H10ClFIN — CID 171235814

IUPAC(1S)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@H](N)c1cc(I)ccc1F.Cl
InChIInChI=1S/C9H9FIN.ClH/c1-2-9(12)7-5-6(11)3-4-8(7)10;/h2-5,9H,1,12H2;1H/t9-;/m0./s1
InChIKeyFUIGSKPLHXJKHS-FVGYRXGTSA-N
MW313.54 g/mol
LogP3.04
Rot. Bonds2

About (1S)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride

(1S)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride (PubChem CID 171235814) has the molecular formula C9H10ClFIN and a molecular weight of 313.54 g/mol. Its IUPAC name is (1S)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride
PubChem CID171235814
Molecular FormulaC9H10ClFIN
Molecular Weight313.54 g/mol
Exact Mass312.95
IUPAC Name(1S)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@H](N)c1cc(I)ccc1F.Cl
InChIInChI=1S/C9H9FIN.ClH/c1-2-9(12)7-5-6(11)3-4-8(7)10;/h2-5,9H,1,12H2;1H/t9-;/m0./s1
InChIKeyFUIGSKPLHXJKHS-FVGYRXGTSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.54
LogP ≤ 53.04
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)prop-2-en-1-amine;hydrochloride
CID 171216180
(1R)-1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55278051
1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55282989
(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-(2,4,5-trifluorophenyl)prop-2-en-1-amine
CID 55277971
3-[(1R)-1-aminoprop-2-enyl]-4-fluorobenzonitrile
CID 55273925
(1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine
CID 131016633
(1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine
CID 131075545
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 171216225
(3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
CID 171216211
1-[(1S)-1-(2-fluoro-5-iodophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171284066

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride (CID 171235814) is (1S)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride is C=C[C@H](N)c1cc(I)ccc1F.Cl.
What is the InChIKey of (1S)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride?
The InChIKey is FUIGSKPLHXJKHS-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H9FIN.ClH/c1-2-9(12)7-5-6(11)3-4-8(7)10;/h2-5,9H,1,12H2;1H/t9-;/m0./s1.
What are the key properties of (1S)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride?
(1S)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride has a molecular weight of 313.54 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 171235814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).