N-ethyl-1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-amine

C11H15F3N2 — CID 112586578

IUPACN-ethyl-1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-amine
SMILESCCNC(CC)(c1ccc(F)cn1)C(F)F
InChIInChI=1S/C11H15F3N2/c1-3-11(10(13)14,16-4-2)9-6-5-8(12)7-15-9/h5-7,10,16H,3-4H2,1-2H3
InChIKeyNQWGUERBGOLAAW-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.70
Rot. Bonds5

About N-ethyl-1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-amine

N-ethyl-1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-amine (PubChem CID 112586578) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is N-ethyl-1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-amine
PubChem CID112586578
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC NameN-ethyl-1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-amine
SMILESCCNC(CC)(c1ccc(F)cn1)C(F)F
InChIInChI=1S/C11H15F3N2/c1-3-11(10(13)14,16-4-2)9-6-5-8(12)7-15-9/h5-7,10,16H,3-4H2,1-2H3
InChIKeyNQWGUERBGOLAAW-UHFFFAOYSA-N
XLogP2.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585936
2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol
CID 112585862
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83119735
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide
CID 83129036
2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid
CID 112586440
2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol
CID 112586602
3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine
CID 112585951
2-(5-fluoro-2-pyridinyl)-2-(2,2,2-trifluoroethylamino)butanoic acid
CID 112583365
1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585875
1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83129340
3-(5-fluoro-2-pyridinyl)pent-1-en-3-amine
CID 130655519

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-amine?
The IUPAC name of N-ethyl-1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-amine (CID 112586578) is N-ethyl-1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-amine.
What is the SMILES notation for N-ethyl-1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-amine?
The canonical SMILES for N-ethyl-1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-amine is CCNC(CC)(c1ccc(F)cn1)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-amine?
The InChIKey is NQWGUERBGOLAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-3-11(10(13)14,16-4-2)9-6-5-8(12)7-15-9/h5-7,10,16H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-amine?
N-ethyl-1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-amine has a molecular weight of 232.25 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-amine is sourced from PubChem (CID 112586578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).