1-N-(2,6-difluorophenyl)cyclopentane-1,2-diamine

C11H14F2N2 — CID 102571496

IUPAC1-N-(2,6-difluorophenyl)cyclopentane-1,2-diamine
SMILESNC1CCCC1Nc1c(F)cccc1F
InChIInChI=1S/C11H14F2N2/c12-7-3-1-4-8(13)11(7)15-10-6-2-5-9(10)14/h1,3-4,9-10,15H,2,5-6,14H2
InChIKeyNAFSIPKLEYJQMA-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.26
Rot. Bonds2

About 1-N-(2,6-difluorophenyl)cyclopentane-1,2-diamine

1-N-(2,6-difluorophenyl)cyclopentane-1,2-diamine (PubChem CID 102571496) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-N-(2,6-difluorophenyl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,6-difluorophenyl)cyclopentane-1,2-diamine
PubChem CID102571496
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name1-N-(2,6-difluorophenyl)cyclopentane-1,2-diamine
SMILESNC1CCCC1Nc1c(F)cccc1F
InChIInChI=1S/C11H14F2N2/c12-7-3-1-4-8(13)11(7)15-10-6-2-5-9(10)14/h1,3-4,9-10,15H,2,5-6,14H2
InChIKeyNAFSIPKLEYJQMA-UHFFFAOYSA-N
XLogP2.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-difluorophenyl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N-(2,6-difluorophenyl)cyclopentane-1,2-diamine (CID 102571496) is 1-N-(2,6-difluorophenyl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-(2,6-difluorophenyl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-(2,6-difluorophenyl)cyclopentane-1,2-diamine is NC1CCCC1Nc1c(F)cccc1F.
What is the InChIKey of 1-N-(2,6-difluorophenyl)cyclopentane-1,2-diamine?
The InChIKey is NAFSIPKLEYJQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c12-7-3-1-4-8(13)11(7)15-10-6-2-5-9(10)14/h1,3-4,9-10,15H,2,5-6,14H2.
What are the key properties of 1-N-(2,6-difluorophenyl)cyclopentane-1,2-diamine?
1-N-(2,6-difluorophenyl)cyclopentane-1,2-diamine has a molecular weight of 212.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-difluorophenyl)cyclopentane-1,2-diamine is sourced from PubChem (CID 102571496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).