1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine

C10H10FNO2 — CID 84773304

IUPAC1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine
SMILESNC1(c2c(F)ccc3c2OCO3)CC1
InChIInChI=1S/C10H10FNO2/c11-6-1-2-7-9(14-5-13-7)8(6)10(12)3-4-10/h1-2H,3-5,12H2
InChIKeyNDGCFJKAXVRZFM-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.50
Rot. Bonds1

About 1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine

1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine (PubChem CID 84773304) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine
PubChem CID84773304
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine
SMILESNC1(c2c(F)ccc3c2OCO3)CC1
InChIInChI=1S/C10H10FNO2/c11-6-1-2-7-9(14-5-13-7)8(6)10(12)3-4-10/h1-2H,3-5,12H2
InChIKeyNDGCFJKAXVRZFM-UHFFFAOYSA-N
XLogP1.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine
CID 117319414
5-fluoro-4-(1-isocyanatocyclopentyl)-1,3-benzodioxole
CID 117375386
1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 84789967
1-(2,3,6-trifluorophenyl)cyclopropan-1-amine
CID 83412567
5-fluoro-4-iodo-1,3-benzodioxole
CID 166057679
1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 117293470
1-(6-chloro-5-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine
CID 117397549
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)cyclopentan-1-amine
CID 117315938
1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)cyclobutan-1-amine
CID 117295877
1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine
CID 117293465
1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine
CID 117319463
1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine
CID 117346753

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine?
The IUPAC name of 1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine (CID 84773304) is 1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine is NC1(c2c(F)ccc3c2OCO3)CC1.
What is the InChIKey of 1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine?
The InChIKey is NDGCFJKAXVRZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-6-1-2-7-9(14-5-13-7)8(6)10(12)3-4-10/h1-2H,3-5,12H2.
What are the key properties of 1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine?
1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine has a molecular weight of 195.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 84773304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).