2-[4-[(Z)-1-(1-aminoethylsulfanyl)prop-1-enyl]-3,5-difluorophenyl]propan-2-ol

C14H19F2NOS — CID 143924614

IUPAC2-[4-[(Z)-1-(1-aminoethylsulfanyl)prop-1-enyl]-3,5-difluorophenyl]propan-2-ol
SMILESC/C=C(\SC(C)N)c1c(F)cc(C(C)(C)O)cc1F
InChIInChI=1S/C14H19F2NOS/c1-5-12(19-8(2)17)13-10(15)6-9(7-11(13)16)14(3,4)18/h5-8,18H,17H2,1-4H3/b12-5-
InChIKeyWIJNLBSEFJIADD-XGICHPGQSA-N
MW287.38 g/mol
LogP3.59
Rot. Bonds4

About 2-[4-[(Z)-1-(1-aminoethylsulfanyl)prop-1-enyl]-3,5-difluorophenyl]propan-2-ol

2-[4-[(Z)-1-(1-aminoethylsulfanyl)prop-1-enyl]-3,5-difluorophenyl]propan-2-ol (PubChem CID 143924614) has the molecular formula C14H19F2NOS and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-[4-[(Z)-1-(1-aminoethylsulfanyl)prop-1-enyl]-3,5-difluorophenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[(Z)-1-(1-aminoethylsulfanyl)prop-1-enyl]-3,5-difluorophenyl]propan-2-ol
PubChem CID143924614
Molecular FormulaC14H19F2NOS
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name2-[4-[(Z)-1-(1-aminoethylsulfanyl)prop-1-enyl]-3,5-difluorophenyl]propan-2-ol
SMILESC/C=C(\SC(C)N)c1c(F)cc(C(C)(C)O)cc1F
InChIInChI=1S/C14H19F2NOS/c1-5-12(19-8(2)17)13-10(15)6-9(7-11(13)16)14(3,4)18/h5-8,18H,17H2,1-4H3/b12-5-
InChIKeyWIJNLBSEFJIADD-XGICHPGQSA-N
XLogP3.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[4-[(Z)-1-(1-aminoethylsulfanyl)prop-1-enyl]-3,5-difluorophenyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-1-(1-aminoethylsulfanyl)prop-1-enyl]-3,5-difluorophenyl]propan-2-ol?
The IUPAC name of 2-[4-[(Z)-1-(1-aminoethylsulfanyl)prop-1-enyl]-3,5-difluorophenyl]propan-2-ol (CID 143924614) is 2-[4-[(Z)-1-(1-aminoethylsulfanyl)prop-1-enyl]-3,5-difluorophenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[(Z)-1-(1-aminoethylsulfanyl)prop-1-enyl]-3,5-difluorophenyl]propan-2-ol?
The canonical SMILES for 2-[4-[(Z)-1-(1-aminoethylsulfanyl)prop-1-enyl]-3,5-difluorophenyl]propan-2-ol is C/C=C(\SC(C)N)c1c(F)cc(C(C)(C)O)cc1F.
What is the InChIKey of 2-[4-[(Z)-1-(1-aminoethylsulfanyl)prop-1-enyl]-3,5-difluorophenyl]propan-2-ol?
The InChIKey is WIJNLBSEFJIADD-XGICHPGQSA-N. The full InChI is InChI=1S/C14H19F2NOS/c1-5-12(19-8(2)17)13-10(15)6-9(7-11(13)16)14(3,4)18/h5-8,18H,17H2,1-4H3/b12-5-.
What are the key properties of 2-[4-[(Z)-1-(1-aminoethylsulfanyl)prop-1-enyl]-3,5-difluorophenyl]propan-2-ol?
2-[4-[(Z)-1-(1-aminoethylsulfanyl)prop-1-enyl]-3,5-difluorophenyl]propan-2-ol has a molecular weight of 287.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-1-(1-aminoethylsulfanyl)prop-1-enyl]-3,5-difluorophenyl]propan-2-ol is sourced from PubChem (CID 143924614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).