1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine

C12H14FNO2 — CID 117319463

IUPAC1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine
SMILESNC1(c2ccc(F)c3c2OCO3)CCCC1
InChIInChI=1S/C12H14FNO2/c13-9-4-3-8(10-11(9)16-7-15-10)12(14)5-1-2-6-12/h3-4H,1-2,5-7,14H2
InChIKeyBHINUBKOBMKZOD-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.28
Rot. Bonds1

About 1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine

1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine (PubChem CID 117319463) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine
PubChem CID117319463
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine
SMILESNC1(c2ccc(F)c3c2OCO3)CCCC1
InChIInChI=1S/C12H14FNO2/c13-9-4-3-8(10-11(9)16-7-15-10)12(14)5-1-2-6-12/h3-4H,1-2,5-7,14H2
InChIKeyBHINUBKOBMKZOD-UHFFFAOYSA-N
XLogP2.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)cyclopentan-1-amine
CID 117381226
1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine
CID 117376205
1-(7-bromo-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 117393166
3-(1-aminocyclopentyl)-6-fluorobenzene-1,2-diol
CID 117301232
1-(4-chloro-1,3-benzodioxol-5-yl)cyclohexan-1-amine
CID 117387400
3-(1-aminocyclohexyl)-6-fluorobenzene-1,2-diol
CID 117323320
1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401
[1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine
CID 117346634
1-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine
CID 117310218
1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 62802198
1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 84773304
1-(2-fluoro-5-methylphenyl)cyclopentan-1-amine
CID 62788352

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine?
The IUPAC name of 1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine (CID 117319463) is 1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine is NC1(c2ccc(F)c3c2OCO3)CCCC1.
What is the InChIKey of 1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine?
The InChIKey is BHINUBKOBMKZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-9-4-3-8(10-11(9)16-7-15-10)12(14)5-1-2-6-12/h3-4H,1-2,5-7,14H2.
What are the key properties of 1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine?
1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine has a molecular weight of 223.25 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine is sourced from PubChem (CID 117319463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).