4,4-difluoro-2-methyl-4-pyridin-4-ylbutan-2-amine

C10H14F2N2 — CID 116839582

IUPAC4,4-difluoro-2-methyl-4-pyridin-4-ylbutan-2-amine
SMILESCC(C)(N)CC(F)(F)c1ccncc1
InChIInChI=1S/C10H14F2N2/c1-9(2,13)7-10(11,12)8-3-5-14-6-4-8/h3-6H,7,13H2,1-2H3
InChIKeyNPKWVVAVCFMRBT-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.30
Rot. Bonds3

About 4,4-difluoro-2-methyl-4-pyridin-4-ylbutan-2-amine

4,4-difluoro-2-methyl-4-pyridin-4-ylbutan-2-amine (PubChem CID 116839582) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4,4-difluoro-2-methyl-4-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name4,4-difluoro-2-methyl-4-pyridin-4-ylbutan-2-amine
PubChem CID116839582
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name4,4-difluoro-2-methyl-4-pyridin-4-ylbutan-2-amine
SMILESCC(C)(N)CC(F)(F)c1ccncc1
InChIInChI=1S/C10H14F2N2/c1-9(2,13)7-10(11,12)8-3-5-14-6-4-8/h3-6H,7,13H2,1-2H3
InChIKeyNPKWVVAVCFMRBT-UHFFFAOYSA-N
XLogP2.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-methyl-4-pyridin-4-ylbutan-2-amine?
The IUPAC name of 4,4-difluoro-2-methyl-4-pyridin-4-ylbutan-2-amine (CID 116839582) is 4,4-difluoro-2-methyl-4-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 4,4-difluoro-2-methyl-4-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 4,4-difluoro-2-methyl-4-pyridin-4-ylbutan-2-amine is CC(C)(N)CC(F)(F)c1ccncc1.
What is the InChIKey of 4,4-difluoro-2-methyl-4-pyridin-4-ylbutan-2-amine?
The InChIKey is NPKWVVAVCFMRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-9(2,13)7-10(11,12)8-3-5-14-6-4-8/h3-6H,7,13H2,1-2H3.
What are the key properties of 4,4-difluoro-2-methyl-4-pyridin-4-ylbutan-2-amine?
4,4-difluoro-2-methyl-4-pyridin-4-ylbutan-2-amine has a molecular weight of 200.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-methyl-4-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 116839582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).