1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol

C9H13F2N3O — CID 103787955

IUPAC1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
SMILESCC(NCC(O)C(F)F)c1cnccn1
InChIInChI=1S/C9H13F2N3O/c1-6(7-4-12-2-3-13-7)14-5-8(15)9(10)11/h2-4,6,8-9,14-15H,5H2,1H3
InChIKeyVCTVWBLRKVIPEW-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.75
Rot. Bonds5

About 1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol

1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol (PubChem CID 103787955) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
PubChem CID103787955
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
SMILESCC(NCC(O)C(F)F)c1cnccn1
InChIInChI=1S/C9H13F2N3O/c1-6(7-4-12-2-3-13-7)14-5-8(15)9(10)11/h2-4,6,8-9,14-15H,5H2,1H3
InChIKeyVCTVWBLRKVIPEW-UHFFFAOYSA-N
XLogP0.75
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
CID 115712106
3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol
CID 103783040
1-(1-pyrazin-2-ylethylamino)pentan-2-ol
CID 115719323
(1S)-2-(methylamino)-1-pyrazin-2-ylethanol
CID 96734230
5-methyl-N-(1-pyrazin-2-ylethyl)hexan-1-amine
CID 81338055
4,4,4-trifluoro-N-(1-pyrazin-2-ylethyl)butan-1-amine
CID 81343203
4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine
CID 115891455
1-[(1-pyrazin-2-ylethylamino)methyl]cyclobutan-1-ol
CID 115718531
N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine
CID 103759753
4,4-dimethyl-1-[(1-pyrazin-2-ylethylamino)methyl]cyclohexan-1-ol
CID 65115500
(3R)-3-(methylamino)-3-pyrazin-2-ylpropan-1-ol
CID 96762763
3-methylsulfinyl-N-(1-pyrazin-2-ylethyl)butan-1-amine
CID 115894563

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol (CID 103787955) is 1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol is CC(NCC(O)C(F)F)c1cnccn1.
What is the InChIKey of 1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol?
The InChIKey is VCTVWBLRKVIPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-6(7-4-12-2-3-13-7)14-5-8(15)9(10)11/h2-4,6,8-9,14-15H,5H2,1H3.
What are the key properties of 1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol?
1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol has a molecular weight of 217.22 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol is sourced from PubChem (CID 103787955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).