1-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)hexan-2-ol

C14H20FNO3 — CID 83922559

IUPAC1-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)hexan-2-ol
SMILESCCC(CC(O)CN)c1cc2c(cc1F)OCCO2
InChIInChI=1S/C14H20FNO3/c1-2-9(5-10(17)8-16)11-6-13-14(7-12(11)15)19-4-3-18-13/h6-7,9-10,17H,2-5,8,16H2,1H3
InChIKeyCTIZQIPVLYZORC-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.80
Rot. Bonds5

About 1-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)hexan-2-ol

1-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)hexan-2-ol (PubChem CID 83922559) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)hexan-2-ol.

Molecular Properties

Compound Name1-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)hexan-2-ol
PubChem CID83922559
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name1-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)hexan-2-ol
SMILESCCC(CC(O)CN)c1cc2c(cc1F)OCCO2
InChIInChI=1S/C14H20FNO3/c1-2-9(5-10(17)8-16)11-6-13-14(7-12(11)15)19-4-3-18-13/h6-7,9-10,17H,2-5,8,16H2,1H3
InChIKeyCTIZQIPVLYZORC-UHFFFAOYSA-N
XLogP1.80
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)hexan-2-ol with MolForge

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Related Compounds

1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol
CID 83931690
4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)hexane-1,2-diol
CID 83922318
1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol
CID 83944097
6-fluoro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922545
3-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)butanethioamide
CID 83922500
1-amino-4-(4-fluorophenyl)hexan-2-ol
CID 83930990
1-amino-4-(3,5-dichlorophenyl)hexan-2-ol
CID 83924872
2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol
CID 83922113
2-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-ol
CID 117325368
2-ethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine
CID 116945494
7-(1-aminopropan-2-yl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117298496
4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-amine
CID 83922518

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)hexan-2-ol?
The IUPAC name of 1-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)hexan-2-ol (CID 83922559) is 1-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)hexan-2-ol.
What is the SMILES notation for 1-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)hexan-2-ol?
The canonical SMILES for 1-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)hexan-2-ol is CCC(CC(O)CN)c1cc2c(cc1F)OCCO2.
What is the InChIKey of 1-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)hexan-2-ol?
The InChIKey is CTIZQIPVLYZORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-2-9(5-10(17)8-16)11-6-13-14(7-12(11)15)19-4-3-18-13/h6-7,9-10,17H,2-5,8,16H2,1H3.
What are the key properties of 1-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)hexan-2-ol?
1-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)hexan-2-ol has a molecular weight of 269.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)hexan-2-ol is sourced from PubChem (CID 83922559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).