(Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride

C11H15ClFNOS — CID 66983268

IUPAC(Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride
SMILESCOc1cccc(SC/C=C(\F)CN)c1.Cl
InChIInChI=1S/C11H14FNOS.ClH/c1-14-10-3-2-4-11(7-10)15-6-5-9(12)8-13;/h2-5,7H,6,8,13H2,1H3;1H/b9-5-;
InChIKeyPIZLDQAFLMJLHE-UYTGOYFPSA-N
MW263.77 g/mol
LogP3.02
Rot. Bonds5

About (Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride

(Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride (PubChem CID 66983268) has the molecular formula C11H15ClFNOS and a molecular weight of 263.77 g/mol. Its IUPAC name is (Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride
PubChem CID66983268
Molecular FormulaC11H15ClFNOS
Molecular Weight263.77 g/mol
Exact Mass263.05
IUPAC Name(Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride
SMILESCOc1cccc(SC/C=C(\F)CN)c1.Cl
InChIInChI=1S/C11H14FNOS.ClH/c1-14-10-3-2-4-11(7-10)15-6-5-9(12)8-13;/h2-5,7H,6,8,13H2,1H3;1H/b9-5-;
InChIKeyPIZLDQAFLMJLHE-UYTGOYFPSA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride
CID 66983257
(Z)-2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride
CID 66983256
(E)-2-fluoro-4-(3-methoxyphenoxy)but-2-en-1-amine;hydrochloride
CID 66983045
2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride
CID 66983281
2-(3-methoxyphenyl)sulfanylethanol
CID 2759720
1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol
CID 64813407
(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 106933261
1-fluoro-4-[[[(Z)-3-(3-methoxyphenyl)sulfanylprop-1-enyl]disulfanyl]methyl]benzene
CID 139340854
1-methoxy-4-(3-methylbut-2-enylsulfanyl)benzene
CID 10488603
5-(3-methoxyphenyl)sulfanylpentanehydrazide
CID 63580608
1-amino-2-cyclopropyl-3-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 64812986
ethyl 2-(4-methoxyphenyl)-3-(3-methoxyphenyl)sulfanylpropanoate
CID 22123590

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride?
The IUPAC name of (Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride (CID 66983268) is (Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride.
What is the SMILES notation for (Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride?
The canonical SMILES for (Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride is COc1cccc(SC/C=C(\F)CN)c1.Cl.
What is the InChIKey of (Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride?
The InChIKey is PIZLDQAFLMJLHE-UYTGOYFPSA-N. The full InChI is InChI=1S/C11H14FNOS.ClH/c1-14-10-3-2-4-11(7-10)15-6-5-9(12)8-13;/h2-5,7H,6,8,13H2,1H3;1H/b9-5-;.
What are the key properties of (Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride?
(Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-4-(3-methoxyphenyl)sulfanylbut-2-en-1-amine;hydrochloride is sourced from PubChem (CID 66983268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).