4-[(E)-1-fluoro-2-phenylethenyl]sulfanylaniline

C14H12FNS — CID 101481700

IUPAC4-[(E)-1-fluoro-2-phenylethenyl]sulfanylaniline
SMILESNc1ccc(S/C(F)=C/c2ccccc2)cc1
InChIInChI=1S/C14H12FNS/c15-14(10-11-4-2-1-3-5-11)17-13-8-6-12(16)7-9-13/h1-10H,16H2/b14-10+
InChIKeyLGPQEXOWDDBBFD-GXDHUFHOSA-N
MW245.32 g/mol
LogP4.33
Rot. Bonds3

About 4-[(E)-1-fluoro-2-phenylethenyl]sulfanylaniline

4-[(E)-1-fluoro-2-phenylethenyl]sulfanylaniline (PubChem CID 101481700) has the molecular formula C14H12FNS and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-[(E)-1-fluoro-2-phenylethenyl]sulfanylaniline.

Molecular Properties

Compound Name4-[(E)-1-fluoro-2-phenylethenyl]sulfanylaniline
PubChem CID101481700
Molecular FormulaC14H12FNS
Molecular Weight245.32 g/mol
Exact Mass245.07
IUPAC Name4-[(E)-1-fluoro-2-phenylethenyl]sulfanylaniline
SMILESNc1ccc(S/C(F)=C/c2ccccc2)cc1
InChIInChI=1S/C14H12FNS/c15-14(10-11-4-2-1-3-5-11)17-13-8-6-12(16)7-9-13/h1-10H,16H2/b14-10+
InChIKeyLGPQEXOWDDBBFD-GXDHUFHOSA-N
XLogP4.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-fluoro-2-phenylethenyl]sulfanylaniline?
The IUPAC name of 4-[(E)-1-fluoro-2-phenylethenyl]sulfanylaniline (CID 101481700) is 4-[(E)-1-fluoro-2-phenylethenyl]sulfanylaniline.
What is the SMILES notation for 4-[(E)-1-fluoro-2-phenylethenyl]sulfanylaniline?
The canonical SMILES for 4-[(E)-1-fluoro-2-phenylethenyl]sulfanylaniline is Nc1ccc(S/C(F)=C/c2ccccc2)cc1.
What is the InChIKey of 4-[(E)-1-fluoro-2-phenylethenyl]sulfanylaniline?
The InChIKey is LGPQEXOWDDBBFD-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H12FNS/c15-14(10-11-4-2-1-3-5-11)17-13-8-6-12(16)7-9-13/h1-10H,16H2/b14-10+.
What are the key properties of 4-[(E)-1-fluoro-2-phenylethenyl]sulfanylaniline?
4-[(E)-1-fluoro-2-phenylethenyl]sulfanylaniline has a molecular weight of 245.32 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-fluoro-2-phenylethenyl]sulfanylaniline is sourced from PubChem (CID 101481700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).