1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol

C10H18FNO2 — CID 123925125

IUPAC1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol
SMILESCC=C(F)C=C(CN)OCC(C)(C)O
InChIInChI=1S/C10H18FNO2/c1-4-8(11)5-9(6-12)14-7-10(2,3)13/h4-5,13H,6-7,12H2,1-3H3
InChIKeyVOAXMMQUMCJUOY-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.49
Rot. Bonds5

About 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol

1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol (PubChem CID 123925125) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol
PubChem CID123925125
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol
SMILESCC=C(F)C=C(CN)OCC(C)(C)O
InChIInChI=1S/C10H18FNO2/c1-4-8(11)5-9(6-12)14-7-10(2,3)13/h4-5,13H,6-7,12H2,1-3H3
InChIKeyVOAXMMQUMCJUOY-UHFFFAOYSA-N
XLogP1.49
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.49
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-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-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-(4-fluorohexa-2,4-dien-2-yloxy)butan-2-amine
CID 90764428
O-(2-hydroxy-2-methylpropyl) ethanethioate
CID 88671393
(2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate
CID 10583373
2,2-dimethyl-3-[(E)-pent-2-en-3-yl]oxypropan-1-ol
CID 134997394
2,5,5-trimethylhex-2-en-1-amine
CID 103392273
(3E,5E)-5-fluorohepta-1,3,5-trien-3-amine
CID 142861932
(2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene
CID 89381383
(Z)-2-ethoxy-N-methylbut-2-en-1-amine
CID 143377801
2,2,2-trifluoroethyl (Z)-3-aminobut-2-enoate
CID 19107499
5-[(2E,4E)-4-fluorohepta-2,4,6-trien-2-yl]oxypentane-2,2-diol
CID 143638124
1-amino-3-(3-amino-2-hydroxy-2-methylpropoxy)-2-methylpropan-2-ol
CID 87837706
2-methyl-1-propan-2-yloxypropan-2-ol
CID 547751

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol?
The IUPAC name of 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol (CID 123925125) is 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol?
The canonical SMILES for 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol is CC=C(F)C=C(CN)OCC(C)(C)O.
What is the InChIKey of 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol?
The InChIKey is VOAXMMQUMCJUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-4-8(11)5-9(6-12)14-7-10(2,3)13/h4-5,13H,6-7,12H2,1-3H3.
What are the key properties of 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol?
1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol has a molecular weight of 203.26 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-4-fluorohexa-2,4-dien-2-yl)oxy-2-methylpropan-2-ol is sourced from PubChem (CID 123925125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).