1-fluoro-1-iodopent-4-en-2-amine;hydrochloride

C5H10ClFIN — CID 88770159

IUPAC1-fluoro-1-iodopent-4-en-2-amine;hydrochloride
SMILESC=CCC(N)C(F)I.Cl
InChIInChI=1S/C5H9FIN.ClH/c1-2-3-4(8)5(6)7;/h2,4-5H,1,3,8H2;1H
InChIKeyNGVASOKMFOEOLT-UHFFFAOYSA-N
MW265.50 g/mol
LogP2.04
Rot. Bonds3

About 1-fluoro-1-iodopent-4-en-2-amine;hydrochloride

1-fluoro-1-iodopent-4-en-2-amine;hydrochloride (PubChem CID 88770159) has the molecular formula C5H10ClFIN and a molecular weight of 265.50 g/mol. Its IUPAC name is 1-fluoro-1-iodopent-4-en-2-amine;hydrochloride.

Molecular Properties

Compound Name1-fluoro-1-iodopent-4-en-2-amine;hydrochloride
PubChem CID88770159
Molecular FormulaC5H10ClFIN
Molecular Weight265.50 g/mol
Exact Mass264.95
IUPAC Name1-fluoro-1-iodopent-4-en-2-amine;hydrochloride
SMILESC=CCC(N)C(F)I.Cl
InChIInChI=1S/C5H9FIN.ClH/c1-2-3-4(8)5(6)7;/h2,4-5H,1,3,8H2;1H
InChIKeyNGVASOKMFOEOLT-UHFFFAOYSA-N
XLogP2.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.50
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3-aminohex-5-en-2-ol
CID 130715143
4-iodopent-1-ene
CID 13244562
(4S)-4-iodopent-1-ene
CID 88562936
3-amino-1-(3-amino-2-hydroxyhex-5-enoxy)hex-5-en-2-ol
CID 57058663
2-aminopent-4-enenitrile;hydrochloride
CID 19438057
(1S)-1-cyclopropylbut-3-en-1-amine;hydrochloride
CID 50999328
3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide
CID 59578352
(2S)-2-aminopent-4-enal
CID 160694428
1,2-difluoropent-4-en-1-ol
CID 23129819
pent-4-ene-1,2-diamine;silane
CID 174886622
1-phenyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride
CID 173005036
(4S)-octa-1,7-dien-4-amine
CID 124537914

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-iodopent-4-en-2-amine;hydrochloride?
The IUPAC name of 1-fluoro-1-iodopent-4-en-2-amine;hydrochloride (CID 88770159) is 1-fluoro-1-iodopent-4-en-2-amine;hydrochloride.
What is the SMILES notation for 1-fluoro-1-iodopent-4-en-2-amine;hydrochloride?
The canonical SMILES for 1-fluoro-1-iodopent-4-en-2-amine;hydrochloride is C=CCC(N)C(F)I.Cl.
What is the InChIKey of 1-fluoro-1-iodopent-4-en-2-amine;hydrochloride?
The InChIKey is NGVASOKMFOEOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FIN.ClH/c1-2-3-4(8)5(6)7;/h2,4-5H,1,3,8H2;1H.
What are the key properties of 1-fluoro-1-iodopent-4-en-2-amine;hydrochloride?
1-fluoro-1-iodopent-4-en-2-amine;hydrochloride has a molecular weight of 265.50 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-iodopent-4-en-2-amine;hydrochloride is sourced from PubChem (CID 88770159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).