6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoropyridin-3-amine

C12H15F3N2 — CID 162444313

IUPAC6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoropyridin-3-amine
SMILESCC1(c2ncc(N)cc2F)CCC(F)(F)CC1
InChIInChI=1S/C12H15F3N2/c1-11(2-4-12(14,15)5-3-11)10-9(13)6-8(16)7-17-10/h6-7H,2-5,16H2,1H3
InChIKeyXGGHXGJPSNWHII-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.27
Rot. Bonds1

About 6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoropyridin-3-amine

6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoropyridin-3-amine (PubChem CID 162444313) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoropyridin-3-amine.

Molecular Properties

Compound Name6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoropyridin-3-amine
PubChem CID162444313
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoropyridin-3-amine
SMILESCC1(c2ncc(N)cc2F)CCC(F)(F)CC1
InChIInChI=1S/C12H15F3N2/c1-11(2-4-12(14,15)5-3-11)10-9(13)6-8(16)7-17-10/h6-7H,2-5,16H2,1H3
InChIKeyXGGHXGJPSNWHII-UHFFFAOYSA-N
XLogP3.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoropyridin-3-amine?
The IUPAC name of 6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoropyridin-3-amine (CID 162444313) is 6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoropyridin-3-amine.
What is the SMILES notation for 6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoropyridin-3-amine?
The canonical SMILES for 6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoropyridin-3-amine is CC1(c2ncc(N)cc2F)CCC(F)(F)CC1.
What is the InChIKey of 6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoropyridin-3-amine?
The InChIKey is XGGHXGJPSNWHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-11(2-4-12(14,15)5-3-11)10-9(13)6-8(16)7-17-10/h6-7H,2-5,16H2,1H3.
What are the key properties of 6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoropyridin-3-amine?
6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoropyridin-3-amine has a molecular weight of 244.26 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoro-1-methylcyclohexyl)-5-fluoropyridin-3-amine is sourced from PubChem (CID 162444313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).