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

C11H14FNS — CID 66982557

IUPAC3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine
SMILESCSc1ccc(CC(=CF)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
InChIKeyOGAVUAJQHIOGLO-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.76
Rot. Bonds4

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

3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine (PubChem CID 66982557) has the molecular formula C11H14FNS and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine
PubChem CID66982557
Molecular FormulaC11H14FNS
Molecular Weight211.31 g/mol
Exact Mass211.08
IUPAC Name3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine
SMILESCSc1ccc(CC(=CF)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
InChIKeyOGAVUAJQHIOGLO-UHFFFAOYSA-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 3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine?
The IUPAC name of 3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine (CID 66982557) is 3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for 3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine is CSc1ccc(CC(=CF)CN)cc1.
What is the InChIKey of 3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine?
The InChIKey is OGAVUAJQHIOGLO-UHFFFAOYSA-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.
What are the key properties of 3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine?
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 3-fluoro-2-[(4-methylsulfanylphenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 66982557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).