3-(1,1-difluoroethyl)-N-methylpyridin-2-amine

C8H10F2N2 — CID 89432261

IUPAC3-(1,1-difluoroethyl)-N-methylpyridin-2-amine
SMILESCNc1ncccc1C(C)(F)F
InChIInChI=1S/C8H10F2N2/c1-8(9,10)6-4-3-5-12-7(6)11-2/h3-5H,1-2H3,(H,11,12)
InChIKeyAPDJMKZUPBTEJR-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.23
Rot. Bonds2

About 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine

3-(1,1-difluoroethyl)-N-methylpyridin-2-amine (PubChem CID 89432261) has the molecular formula C8H10F2N2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-N-methylpyridin-2-amine
PubChem CID89432261
Molecular FormulaC8H10F2N2
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name3-(1,1-difluoroethyl)-N-methylpyridin-2-amine
SMILESCNc1ncccc1C(C)(F)F
InChIInChI=1S/C8H10F2N2/c1-8(9,10)6-4-3-5-12-7(6)11-2/h3-5H,1-2H3,(H,11,12)
InChIKeyAPDJMKZUPBTEJR-UHFFFAOYSA-N
XLogP2.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,1-difluoroethyl)-2-fluoropyridine
CID 145371405
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
N-methyl-3-(trifluoromethylsulfanyl)pyridin-2-amine
CID 133058074
N-(3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 104828787
2-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62149939
N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine
CID 115628581
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine
CID 54942856
2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
CID 61266117
N-(2-methyl-2-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 63541640
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
2-N-methyl-4-(trifluoromethyl)pyridine-2,3-diamine
CID 172685718

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine?
The IUPAC name of 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine (CID 89432261) is 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine is CNc1ncccc1C(C)(F)F.
What is the InChIKey of 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine?
The InChIKey is APDJMKZUPBTEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2/c1-8(9,10)6-4-3-5-12-7(6)11-2/h3-5H,1-2H3,(H,11,12).
What are the key properties of 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine?
3-(1,1-difluoroethyl)-N-methylpyridin-2-amine has a molecular weight of 172.18 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 89432261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).