5-(4,4-difluorocyclohexyl)pyridin-3-amine

C11H14F2N2 — CID 156574483

IUPAC5-(4,4-difluorocyclohexyl)pyridin-3-amine
SMILESNc1cncc(C2CCC(F)(F)CC2)c1
InChIInChI=1S/C11H14F2N2/c12-11(13)3-1-8(2-4-11)9-5-10(14)7-15-6-9/h5-8H,1-4,14H2
InChIKeyGFKJQWHCYSHLEM-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.96
Rot. Bonds1

About 5-(4,4-difluorocyclohexyl)pyridin-3-amine

5-(4,4-difluorocyclohexyl)pyridin-3-amine (PubChem CID 156574483) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 5-(4,4-difluorocyclohexyl)pyridin-3-amine.

Molecular Properties

Compound Name5-(4,4-difluorocyclohexyl)pyridin-3-amine
PubChem CID156574483
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name5-(4,4-difluorocyclohexyl)pyridin-3-amine
SMILESNc1cncc(C2CCC(F)(F)CC2)c1
InChIInChI=1S/C11H14F2N2/c12-11(13)3-1-8(2-4-11)9-5-10(14)7-15-6-9/h5-8H,1-4,14H2
InChIKeyGFKJQWHCYSHLEM-UHFFFAOYSA-N
XLogP2.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluorocyclohexyl)pyridin-3-amine?
The IUPAC name of 5-(4,4-difluorocyclohexyl)pyridin-3-amine (CID 156574483) is 5-(4,4-difluorocyclohexyl)pyridin-3-amine.
What is the SMILES notation for 5-(4,4-difluorocyclohexyl)pyridin-3-amine?
The canonical SMILES for 5-(4,4-difluorocyclohexyl)pyridin-3-amine is Nc1cncc(C2CCC(F)(F)CC2)c1.
What is the InChIKey of 5-(4,4-difluorocyclohexyl)pyridin-3-amine?
The InChIKey is GFKJQWHCYSHLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c12-11(13)3-1-8(2-4-11)9-5-10(14)7-15-6-9/h5-8H,1-4,14H2.
What are the key properties of 5-(4,4-difluorocyclohexyl)pyridin-3-amine?
5-(4,4-difluorocyclohexyl)pyridin-3-amine has a molecular weight of 212.24 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluorocyclohexyl)pyridin-3-amine is sourced from PubChem (CID 156574483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).