(4Z)-1-fluoro-4-[(Z)-3-(oxan-4-ylmethylsulfinyl)prop-1-enyl]hepta-4,6-dien-2-amine

C16H26FNO2S — CID 129313230

IUPAC(4Z)-1-fluoro-4-[(Z)-3-(oxan-4-ylmethylsulfinyl)prop-1-enyl]hepta-4,6-dien-2-amine
SMILESC=C/C=C(\C=C/CS(=O)CC1CCOCC1)CC(N)CF
InChIInChI=1S/C16H26FNO2S/c1-2-4-14(11-16(18)12-17)5-3-10-21(19)13-15-6-8-20-9-7-15/h2-5,15-16H,1,6-13,18H2/b5-3-,14-4+
InChIKeyJIJJLHOEOAJHHY-NUTJIFLOSA-N
MW315.45 g/mol
LogP2.52
Rot. Bonds9

About (4Z)-1-fluoro-4-[(Z)-3-(oxan-4-ylmethylsulfinyl)prop-1-enyl]hepta-4,6-dien-2-amine

(4Z)-1-fluoro-4-[(Z)-3-(oxan-4-ylmethylsulfinyl)prop-1-enyl]hepta-4,6-dien-2-amine (PubChem CID 129313230) has the molecular formula C16H26FNO2S and a molecular weight of 315.45 g/mol. Its IUPAC name is (4Z)-1-fluoro-4-[(Z)-3-(oxan-4-ylmethylsulfinyl)prop-1-enyl]hepta-4,6-dien-2-amine.

Molecular Properties

Compound Name(4Z)-1-fluoro-4-[(Z)-3-(oxan-4-ylmethylsulfinyl)prop-1-enyl]hepta-4,6-dien-2-amine
PubChem CID129313230
Molecular FormulaC16H26FNO2S
Molecular Weight315.45 g/mol
Exact Mass315.17
IUPAC Name(4Z)-1-fluoro-4-[(Z)-3-(oxan-4-ylmethylsulfinyl)prop-1-enyl]hepta-4,6-dien-2-amine
SMILESC=C/C=C(\C=C/CS(=O)CC1CCOCC1)CC(N)CF
InChIInChI=1S/C16H26FNO2S/c1-2-4-14(11-16(18)12-17)5-3-10-21(19)13-15-6-8-20-9-7-15/h2-5,15-16H,1,6-13,18H2/b5-3-,14-4+
InChIKeyJIJJLHOEOAJHHY-NUTJIFLOSA-N
XLogP2.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4Z)-1-fluoro-4-[(Z)-3-(oxan-4-ylmethylsulfinyl)prop-1-enyl]hepta-4,6-dien-2-amine 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 (4Z)-1-fluoro-4-[(Z)-3-(oxan-4-ylmethylsulfinyl)prop-1-enyl]hepta-4,6-dien-2-amine?
The IUPAC name of (4Z)-1-fluoro-4-[(Z)-3-(oxan-4-ylmethylsulfinyl)prop-1-enyl]hepta-4,6-dien-2-amine (CID 129313230) is (4Z)-1-fluoro-4-[(Z)-3-(oxan-4-ylmethylsulfinyl)prop-1-enyl]hepta-4,6-dien-2-amine.
What is the SMILES notation for (4Z)-1-fluoro-4-[(Z)-3-(oxan-4-ylmethylsulfinyl)prop-1-enyl]hepta-4,6-dien-2-amine?
The canonical SMILES for (4Z)-1-fluoro-4-[(Z)-3-(oxan-4-ylmethylsulfinyl)prop-1-enyl]hepta-4,6-dien-2-amine is C=C/C=C(\C=C/CS(=O)CC1CCOCC1)CC(N)CF.
What is the InChIKey of (4Z)-1-fluoro-4-[(Z)-3-(oxan-4-ylmethylsulfinyl)prop-1-enyl]hepta-4,6-dien-2-amine?
The InChIKey is JIJJLHOEOAJHHY-NUTJIFLOSA-N. The full InChI is InChI=1S/C16H26FNO2S/c1-2-4-14(11-16(18)12-17)5-3-10-21(19)13-15-6-8-20-9-7-15/h2-5,15-16H,1,6-13,18H2/b5-3-,14-4+.
What are the key properties of (4Z)-1-fluoro-4-[(Z)-3-(oxan-4-ylmethylsulfinyl)prop-1-enyl]hepta-4,6-dien-2-amine?
(4Z)-1-fluoro-4-[(Z)-3-(oxan-4-ylmethylsulfinyl)prop-1-enyl]hepta-4,6-dien-2-amine has a molecular weight of 315.45 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-fluoro-4-[(Z)-3-(oxan-4-ylmethylsulfinyl)prop-1-enyl]hepta-4,6-dien-2-amine is sourced from PubChem (CID 129313230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).