1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine

C11H11F2NO2 — CID 84791254

IUPAC1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine
SMILESNC1(c2cc3c(cc2C(F)F)OCO3)CC1
InChIInChI=1S/C11H11F2NO2/c12-10(13)6-3-8-9(16-5-15-8)4-7(6)11(14)1-2-11/h3-4,10H,1-2,5,14H2
InChIKeyUYYDYSBQIWXTOK-UHFFFAOYSA-N
MW227.21 g/mol
LogP2.30
Rot. Bonds2

About 1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine

1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine (PubChem CID 84791254) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine
PubChem CID84791254
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine
SMILESNC1(c2cc3c(cc2C(F)F)OCO3)CC1
InChIInChI=1S/C11H11F2NO2/c12-10(13)6-3-8-9(16-5-15-8)4-7(6)11(14)1-2-11/h3-4,10H,1-2,5,14H2
InChIKeyUYYDYSBQIWXTOK-UHFFFAOYSA-N
XLogP2.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine
CID 117408361
1-[8-(difluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]cyclopropan-1-ol
CID 117393679
1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine
CID 84785745
1-(6-bromo-7-methyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine
CID 84808815
2-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]-2-oxoacetic acid
CID 117361783
3-amino-2-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]propanoic acid
CID 117401121
1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine
CID 117323744
1-[7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]cyclopropan-1-amine
CID 84810040
1-(7-bromospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)cyclopropan-1-amine
CID 117494919
1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine
CID 117323795
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine
CID 117391231
1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclopentan-1-amine
CID 117426242

Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine?
The IUPAC name of 1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine (CID 84791254) is 1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine is NC1(c2cc3c(cc2C(F)F)OCO3)CC1.
What is the InChIKey of 1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine?
The InChIKey is UYYDYSBQIWXTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-10(13)6-3-8-9(16-5-15-8)4-7(6)11(14)1-2-11/h3-4,10H,1-2,5,14H2.
What are the key properties of 1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine?
1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine has a molecular weight of 227.21 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethyl)-1,3-benzodioxol-5-yl]cyclopropan-1-amine is sourced from PubChem (CID 84791254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).