3-amino-3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol

C11H14FNO4 — CID 84703771

IUPAC3-amino-3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
SMILESCOc1c(F)cc2c(c1C(N)CCO)OCO2
InChIInChI=1S/C11H14FNO4/c1-15-10-6(12)4-8-11(17-5-16-8)9(10)7(13)2-3-14/h4,7,14H,2-3,5,13H2,1H3
InChIKeyQQIXDLDJZFPCAN-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.95
Rot. Bonds4

About 3-amino-3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol

3-amino-3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol (PubChem CID 84703771) has the molecular formula C11H14FNO4 and a molecular weight of 243.23 g/mol. Its IUPAC name is 3-amino-3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
PubChem CID84703771
Molecular FormulaC11H14FNO4
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name3-amino-3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
SMILESCOc1c(F)cc2c(c1C(N)CCO)OCO2
InChIInChI=1S/C11H14FNO4/c1-15-10-6(12)4-8-11(17-5-16-8)9(10)7(13)2-3-14/h4,7,14H,2-3,5,13H2,1H3
InChIKeyQQIXDLDJZFPCAN-UHFFFAOYSA-N
XLogP0.95
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-4-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)butanoic acid
CID 117482161
O-[2-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)ethyl]hydroxylamine
CID 117329917
2-amino-1-(8-fluoro-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethanol
CID 117395984
(3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride
CID 171215813
3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-amine
CID 117326589
1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 84789967
6-fluoro-5-methoxy-1,3-benzodioxole-4-sulfonyl chloride
CID 84712248
3-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)butan-1-amine
CID 117354821
2-(1-amino-2-hydroxyethyl)-4,6-difluoro-3-methoxyphenol
CID 117311713
3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol
CID 71202957
(1S)-1-(6-ethenyl-4-methoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 66517897
ethyl 2-(6-fluoro-5-hydroxy-1,3-benzodioxol-4-yl)-2-hydroxyacetate
CID 117398645

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol (CID 84703771) is 3-amino-3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol is COc1c(F)cc2c(c1C(N)CCO)OCO2.
What is the InChIKey of 3-amino-3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol?
The InChIKey is QQIXDLDJZFPCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4/c1-15-10-6(12)4-8-11(17-5-16-8)9(10)7(13)2-3-14/h4,7,14H,2-3,5,13H2,1H3.
What are the key properties of 3-amino-3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol?
3-amino-3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol has a molecular weight of 243.23 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol is sourced from PubChem (CID 84703771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).