(E)-3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine

C11H14FNS — CID 66982835

IUPAC(E)-3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine
SMILESCSc1ccc(C/C(=C\F)CN)cc1
InChIInChI=1S/C11H14FNS/c1-14-11-4-2-9(3-5-11)6-10(7-12)8-13/h2-5,7H,6,8,13H2,1H3/b10-7+
InChIKeyOGAVUAJQHIOGLO-JXMROGBWSA-N
MW211.31 g/mol
LogP2.76
Rot. Bonds4

About (E)-3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine

(E)-3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine (PubChem CID 66982835) has the molecular formula C11H14FNS and a molecular weight of 211.31 g/mol. Its IUPAC name is (E)-3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine
PubChem CID66982835
Molecular FormulaC11H14FNS
Molecular Weight211.31 g/mol
Exact Mass211.08
IUPAC Name(E)-3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine
SMILESCSc1ccc(C/C(=C\F)CN)cc1
InChIInChI=1S/C11H14FNS/c1-14-11-4-2-9(3-5-11)6-10(7-12)8-13/h2-5,7H,6,8,13H2,1H3/b10-7+
InChIKeyOGAVUAJQHIOGLO-JXMROGBWSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine (CID 66982835) is (E)-3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine is CSc1ccc(C/C(=C\F)CN)cc1.
What is the InChIKey of (E)-3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine?
The InChIKey is OGAVUAJQHIOGLO-JXMROGBWSA-N. The full InChI is InChI=1S/C11H14FNS/c1-14-11-4-2-9(3-5-11)6-10(7-12)8-13/h2-5,7H,6,8,13H2,1H3/b10-7+.
What are the key properties of (E)-3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine?
(E)-3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine has a molecular weight of 211.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 66982835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).