4-(4-fluorocyclohexyl)-3H-pyridine-2,4-diamine

C11H18FN3 — CID 167485625

IUPAC4-(4-fluorocyclohexyl)-3H-pyridine-2,4-diamine
SMILESNC1=NC=CC(N)(C2CCC(F)CC2)C1
InChIInChI=1S/C11H18FN3/c12-9-3-1-8(2-4-9)11(14)5-6-15-10(13)7-11/h5-6,8-9H,1-4,7,14H2,(H2,13,15)
InChIKeyZSFYHBSCFNIVPS-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.49
Rot. Bonds1

About 4-(4-fluorocyclohexyl)-3H-pyridine-2,4-diamine

4-(4-fluorocyclohexyl)-3H-pyridine-2,4-diamine (PubChem CID 167485625) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-(4-fluorocyclohexyl)-3H-pyridine-2,4-diamine.

Molecular Properties

Compound Name4-(4-fluorocyclohexyl)-3H-pyridine-2,4-diamine
PubChem CID167485625
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name4-(4-fluorocyclohexyl)-3H-pyridine-2,4-diamine
SMILESNC1=NC=CC(N)(C2CCC(F)CC2)C1
InChIInChI=1S/C11H18FN3/c12-9-3-1-8(2-4-9)11(14)5-6-15-10(13)7-11/h5-6,8-9H,1-4,7,14H2,(H2,13,15)
InChIKeyZSFYHBSCFNIVPS-UHFFFAOYSA-N
XLogP1.49
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorocyclohexyl)-3H-pyridine-2,4-diamine?
The IUPAC name of 4-(4-fluorocyclohexyl)-3H-pyridine-2,4-diamine (CID 167485625) is 4-(4-fluorocyclohexyl)-3H-pyridine-2,4-diamine.
What is the SMILES notation for 4-(4-fluorocyclohexyl)-3H-pyridine-2,4-diamine?
The canonical SMILES for 4-(4-fluorocyclohexyl)-3H-pyridine-2,4-diamine is NC1=NC=CC(N)(C2CCC(F)CC2)C1.
What is the InChIKey of 4-(4-fluorocyclohexyl)-3H-pyridine-2,4-diamine?
The InChIKey is ZSFYHBSCFNIVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c12-9-3-1-8(2-4-9)11(14)5-6-15-10(13)7-11/h5-6,8-9H,1-4,7,14H2,(H2,13,15).
What are the key properties of 4-(4-fluorocyclohexyl)-3H-pyridine-2,4-diamine?
4-(4-fluorocyclohexyl)-3H-pyridine-2,4-diamine has a molecular weight of 211.28 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorocyclohexyl)-3H-pyridine-2,4-diamine is sourced from PubChem (CID 167485625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).