(E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine

C10H11F2NS — CID 117306899

IUPAC(E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine
SMILESCSc1cc(F)c(/C=C/CN)cc1F
InChIInChI=1S/C10H11F2NS/c1-14-10-6-8(11)7(3-2-4-13)5-9(10)12/h2-3,5-6H,4,13H2,1H3/b3-2+
InChIKeyHBLULVQRMYXEET-NSCUHMNNSA-N
MW215.27 g/mol
LogP2.66
Rot. Bonds3

About (E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine

(E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine (PubChem CID 117306899) has the molecular formula C10H11F2NS and a molecular weight of 215.27 g/mol. Its IUPAC name is (E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine
PubChem CID117306899
Molecular FormulaC10H11F2NS
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name(E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine
SMILESCSc1cc(F)c(/C=C/CN)cc1F
InChIInChI=1S/C10H11F2NS/c1-14-10-6-8(11)7(3-2-4-13)5-9(10)12/h2-3,5-6H,4,13H2,1H3/b3-2+
InChIKeyHBLULVQRMYXEET-NSCUHMNNSA-N
XLogP2.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(2,4-difluoro-5-propan-2-ylphenyl)prop-2-en-1-amine
CID 117301557
(E)-3-(5-chloro-2-methylsulfanylphenyl)prop-2-en-1-amine
CID 117304872
(E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 117285336
(E)-3-(2-methylsulfanylphenyl)prop-2-en-1-amine
CID 117278212
3-(2,5-difluorophenyl)prop-2-en-1-amine
CID 76997167
(E)-3-(2,5-dimethoxy-3-methylsulfanylphenyl)prop-2-en-1-amine
CID 117351505
4-(2,4,5-trifluorophenyl)but-3-en-1-amine
CID 170486760
5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol
CID 117286690
3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine
CID 169463810
(E)-3-(5-fluoro-1H-indol-6-yl)prop-2-en-1-amine
CID 117281812
(E)-3-(2-methyl-4-methylsulfanylphenyl)prop-2-en-1-amine
CID 117284218
3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463995

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine (CID 117306899) is (E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine is CSc1cc(F)c(/C=C/CN)cc1F.
What is the InChIKey of (E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine?
The InChIKey is HBLULVQRMYXEET-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H11F2NS/c1-14-10-6-8(11)7(3-2-4-13)5-9(10)12/h2-3,5-6H,4,13H2,1H3/b3-2+.
What are the key properties of (E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine?
(E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine has a molecular weight of 215.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 117306899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).