1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol

C9H16FNO2 — CID 143627970

IUPAC1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol
SMILESC/C=C\C(OCC(O)CN)=C(/C)F
InChIInChI=1S/C9H16FNO2/c1-3-4-9(7(2)10)13-6-8(12)5-11/h3-4,8,12H,5-6,11H2,1-2H3/b4-3-,9-7-
InChIKeyAMQKSVPUUYUZBU-DDYVKQNKSA-N
MW189.23 g/mol
LogP1.10
Rot. Bonds5

About 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol

1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol (PubChem CID 143627970) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol.

Molecular Properties

Compound Name1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol
PubChem CID143627970
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol
SMILESC/C=C\C(OCC(O)CN)=C(/C)F
InChIInChI=1S/C9H16FNO2/c1-3-4-9(7(2)10)13-6-8(12)5-11/h3-4,8,12H,5-6,11H2,1-2H3/b4-3-,9-7-
InChIKeyAMQKSVPUUYUZBU-DDYVKQNKSA-N
XLogP1.10
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-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

Related Compounds

1-amino-3-[(3E)-2-bromo-5-fluorohexa-1,3,5-trien-3-yl]oxypropan-2-ol
CID 143627915
1-Amino-3-hexa-2,4-dien-3-yloxypropan-2-ol
CID 90726226
1-Amino-3-penta-1,3-dien-3-yloxypropan-2-ol
CID 123651859
2-[(2E,4Z)-6-(2-aminoethoxy)hepta-2,4-dien-2-yl]oxyethanol
CID 130373264
ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-3-(methylamino)propan-2-ol
CID 141820441
1-amino-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypropan-2-ol;ethane
CID 142355286
1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol;ethane
CID 143627969
1-Amino-3-[4-(ethoxymethylidene)cyclohexa-2,5-dien-1-yl]oxypropan-2-ol
CID 20352680
1-Amino-3-[4-(methoxymethylidene)cyclohexa-2,5-dien-1-yl]oxypropan-2-ol
CID 20352702
1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-3-(methylamino)propan-2-ol
CID 141820442
1-amino-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypropan-2-ol
CID 142355287
(2R)-1-amino-3-[(3E)-hexa-1,3,5-trien-3-yl]oxypropan-2-ol
CID 143972945

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol?
The IUPAC name of 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol (CID 143627970) is 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol.
What is the SMILES notation for 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol?
The canonical SMILES for 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol is C/C=C\C(OCC(O)CN)=C(/C)F.
What is the InChIKey of 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol?
The InChIKey is AMQKSVPUUYUZBU-DDYVKQNKSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-3-4-9(7(2)10)13-6-8(12)5-11/h3-4,8,12H,5-6,11H2,1-2H3/b4-3-,9-7-.
What are the key properties of 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol?
1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol has a molecular weight of 189.23 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(2Z,4Z)-2-fluorohexa-2,4-dien-3-yl]oxypropan-2-ol is sourced from PubChem (CID 143627970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).