1-(5,7-difluoro-1H-indol-6-yl)cyclopentan-1-amine

C13H14F2N2 — CID 117344483

IUPAC1-(5,7-difluoro-1H-indol-6-yl)cyclopentan-1-amine
SMILESNC1(c2c(F)cc3cc[nH]c3c2F)CCCC1
InChIInChI=1S/C13H14F2N2/c14-9-7-8-3-6-17-12(8)11(15)10(9)13(16)4-1-2-5-13/h3,6-7,17H,1-2,4-5,16H2
InChIKeyVRXVUGFLZQZXDJ-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.17
Rot. Bonds1

About 1-(5,7-difluoro-1H-indol-6-yl)cyclopentan-1-amine

1-(5,7-difluoro-1H-indol-6-yl)cyclopentan-1-amine (PubChem CID 117344483) has the molecular formula C13H14F2N2 and a molecular weight of 236.26 g/mol. Its IUPAC name is 1-(5,7-difluoro-1H-indol-6-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(5,7-difluoro-1H-indol-6-yl)cyclopentan-1-amine
PubChem CID117344483
Molecular FormulaC13H14F2N2
Molecular Weight236.26 g/mol
Exact Mass236.11
IUPAC Name1-(5,7-difluoro-1H-indol-6-yl)cyclopentan-1-amine
SMILESNC1(c2c(F)cc3cc[nH]c3c2F)CCCC1
InChIInChI=1S/C13H14F2N2/c14-9-7-8-3-6-17-12(8)11(15)10(9)13(16)4-1-2-5-13/h3,6-7,17H,1-2,4-5,16H2
InChIKeyVRXVUGFLZQZXDJ-UHFFFAOYSA-N
XLogP3.17
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-difluoro-1H-indol-6-yl)cyclopentan-1-amine?
The IUPAC name of 1-(5,7-difluoro-1H-indol-6-yl)cyclopentan-1-amine (CID 117344483) is 1-(5,7-difluoro-1H-indol-6-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(5,7-difluoro-1H-indol-6-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(5,7-difluoro-1H-indol-6-yl)cyclopentan-1-amine is NC1(c2c(F)cc3cc[nH]c3c2F)CCCC1.
What is the InChIKey of 1-(5,7-difluoro-1H-indol-6-yl)cyclopentan-1-amine?
The InChIKey is VRXVUGFLZQZXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c14-9-7-8-3-6-17-12(8)11(15)10(9)13(16)4-1-2-5-13/h3,6-7,17H,1-2,4-5,16H2.
What are the key properties of 1-(5,7-difluoro-1H-indol-6-yl)cyclopentan-1-amine?
1-(5,7-difluoro-1H-indol-6-yl)cyclopentan-1-amine has a molecular weight of 236.26 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-difluoro-1H-indol-6-yl)cyclopentan-1-amine is sourced from PubChem (CID 117344483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).