4-[4-(2-fluoroethyl)cyclohexyl]-3H-pyridine-2,4-diamine

C13H22FN3 — CID 167485638

IUPAC4-[4-(2-fluoroethyl)cyclohexyl]-3H-pyridine-2,4-diamine
SMILESNC1=NC=CC(N)(C2CCC(CCF)CC2)C1
InChIInChI=1S/C13H22FN3/c14-7-5-10-1-3-11(4-2-10)13(16)6-8-17-12(15)9-13/h6,8,10-11H,1-5,7,9,16H2,(H2,15,17)
InChIKeyTXOPMOUARJQDQR-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.12
Rot. Bonds3

About 4-[4-(2-fluoroethyl)cyclohexyl]-3H-pyridine-2,4-diamine

4-[4-(2-fluoroethyl)cyclohexyl]-3H-pyridine-2,4-diamine (PubChem CID 167485638) has the molecular formula C13H22FN3 and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-[4-(2-fluoroethyl)cyclohexyl]-3H-pyridine-2,4-diamine.

Molecular Properties

Compound Name4-[4-(2-fluoroethyl)cyclohexyl]-3H-pyridine-2,4-diamine
PubChem CID167485638
Molecular FormulaC13H22FN3
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC Name4-[4-(2-fluoroethyl)cyclohexyl]-3H-pyridine-2,4-diamine
SMILESNC1=NC=CC(N)(C2CCC(CCF)CC2)C1
InChIInChI=1S/C13H22FN3/c14-7-5-10-1-3-11(4-2-10)13(16)6-8-17-12(15)9-13/h6,8,10-11H,1-5,7,9,16H2,(H2,15,17)
InChIKeyTXOPMOUARJQDQR-UHFFFAOYSA-N
XLogP2.12
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluoroethyl)cyclohexyl]-3H-pyridine-2,4-diamine?
The IUPAC name of 4-[4-(2-fluoroethyl)cyclohexyl]-3H-pyridine-2,4-diamine (CID 167485638) is 4-[4-(2-fluoroethyl)cyclohexyl]-3H-pyridine-2,4-diamine.
What is the SMILES notation for 4-[4-(2-fluoroethyl)cyclohexyl]-3H-pyridine-2,4-diamine?
The canonical SMILES for 4-[4-(2-fluoroethyl)cyclohexyl]-3H-pyridine-2,4-diamine is NC1=NC=CC(N)(C2CCC(CCF)CC2)C1.
What is the InChIKey of 4-[4-(2-fluoroethyl)cyclohexyl]-3H-pyridine-2,4-diamine?
The InChIKey is TXOPMOUARJQDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3/c14-7-5-10-1-3-11(4-2-10)13(16)6-8-17-12(15)9-13/h6,8,10-11H,1-5,7,9,16H2,(H2,15,17).
What are the key properties of 4-[4-(2-fluoroethyl)cyclohexyl]-3H-pyridine-2,4-diamine?
4-[4-(2-fluoroethyl)cyclohexyl]-3H-pyridine-2,4-diamine has a molecular weight of 239.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluoroethyl)cyclohexyl]-3H-pyridine-2,4-diamine is sourced from PubChem (CID 167485638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).