1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclopentan-1-amine

C13H16FNO2 — CID 117346664

IUPAC1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclopentan-1-amine
SMILESNC1(c2cc(F)cc3c2OCOC3)CCCC1
InChIInChI=1S/C13H16FNO2/c14-10-5-9-7-16-8-17-12(9)11(6-10)13(15)3-1-2-4-13/h5-6H,1-4,7-8,15H2
InChIKeyPUCWLSFJLDQBGM-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.42
Rot. Bonds1

About 1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclopentan-1-amine

1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclopentan-1-amine (PubChem CID 117346664) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclopentan-1-amine
PubChem CID117346664
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclopentan-1-amine
SMILESNC1(c2cc(F)cc3c2OCOC3)CCCC1
InChIInChI=1S/C13H16FNO2/c14-10-5-9-7-16-8-17-12(9)11(6-10)13(15)3-1-2-4-13/h5-6H,1-4,7-8,15H2
InChIKeyPUCWLSFJLDQBGM-UHFFFAOYSA-N
XLogP2.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutan-1-amine
CID 117456869
[1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclobutyl]methanamine
CID 117346641
(6-fluoro-4H-1,3-benzodioxin-8-yl)methanol
CID 2779909
6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride
CID 67416939
1-(7-fluoro-1,3-benzodioxol-4-yl)cyclopentan-1-amine
CID 117319463
1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401
1-(6-chloro-4H-1,3-benzodioxin-8-yl)cyclopentane-1-carboxylic acid
CID 117454296
3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine
CID 170865915
2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,1,3,3-tetramethylguanidine
CID 111069970
methyl 2-amino-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)propanoate
CID 170883507
1-(3,5-difluoro-2,4-dimethylphenyl)cyclopentan-1-amine
CID 84790278
1-(6-bromo-4H-1,3-benzodioxin-8-yl)cyclobutane-1-carboxylic acid
CID 117498058

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclopentan-1-amine?
The IUPAC name of 1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclopentan-1-amine (CID 117346664) is 1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclopentan-1-amine is NC1(c2cc(F)cc3c2OCOC3)CCCC1.
What is the InChIKey of 1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclopentan-1-amine?
The InChIKey is PUCWLSFJLDQBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-10-5-9-7-16-8-17-12(9)11(6-10)13(15)3-1-2-4-13/h5-6H,1-4,7-8,15H2.
What are the key properties of 1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclopentan-1-amine?
1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclopentan-1-amine has a molecular weight of 237.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-4H-1,3-benzodioxin-8-yl)cyclopentan-1-amine is sourced from PubChem (CID 117346664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).