3-amino-3-[6-(difluoromethyl)pyrazin-2-yl]propan-1-ol

C8H11F2N3O — CID 84671279

IUPAC3-amino-3-[6-(difluoromethyl)pyrazin-2-yl]propan-1-ol
SMILESNC(CCO)c1cncc(C(F)F)n1
InChIInChI=1S/C8H11F2N3O/c9-8(10)7-4-12-3-6(13-7)5(11)1-2-14/h3-5,8,14H,1-2,11H2
InChIKeyBUOFPXVVDUAMCU-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.80
Rot. Bonds4

About 3-amino-3-[6-(difluoromethyl)pyrazin-2-yl]propan-1-ol

3-amino-3-[6-(difluoromethyl)pyrazin-2-yl]propan-1-ol (PubChem CID 84671279) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 3-amino-3-[6-(difluoromethyl)pyrazin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[6-(difluoromethyl)pyrazin-2-yl]propan-1-ol
PubChem CID84671279
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name3-amino-3-[6-(difluoromethyl)pyrazin-2-yl]propan-1-ol
SMILESNC(CCO)c1cncc(C(F)F)n1
InChIInChI=1S/C8H11F2N3O/c9-8(10)7-4-12-3-6(13-7)5(11)1-2-14/h3-5,8,14H,1-2,11H2
InChIKeyBUOFPXVVDUAMCU-UHFFFAOYSA-N
XLogP0.80
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Pyrazin-2-yl)propan-1-ol
CID 15185548
2,2-Difluoro-3-(5-methylpyrazin-2-yl)propan-1-ol
CID 137467706
(3S)-3-pyrazin-2-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid
CID 175877546
N-ethyl-1-pyrazin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095074
2-Amino-2-[5-(difluoromethyl)pyrazin-2-yl]ethanol
CID 84661840
2-Amino-2-[6-(difluoromethyl)pyrazin-2-yl]ethanol
CID 84661842
2-Amino-1-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol
CID 84671273
3-Amino-3-[5-(difluoromethyl)pyrazin-2-yl]propan-1-ol
CID 84671275
2-Amino-1-[6-(difluoromethyl)pyrazin-2-yl]propan-1-ol
CID 84671277
3-Amino-3-[5-(difluoromethyl)pyrazin-2-yl]propanoic acid
CID 84682443
3-Amino-3-[6-(difluoromethyl)pyrazin-2-yl]propanoic acid
CID 84682446
3-(2,2-Difluoroethoxy)-1-pyrazin-2-ylpropan-1-amine
CID 103149020

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[6-(difluoromethyl)pyrazin-2-yl]propan-1-ol?
The IUPAC name of 3-amino-3-[6-(difluoromethyl)pyrazin-2-yl]propan-1-ol (CID 84671279) is 3-amino-3-[6-(difluoromethyl)pyrazin-2-yl]propan-1-ol.
What is the SMILES notation for 3-amino-3-[6-(difluoromethyl)pyrazin-2-yl]propan-1-ol?
The canonical SMILES for 3-amino-3-[6-(difluoromethyl)pyrazin-2-yl]propan-1-ol is NC(CCO)c1cncc(C(F)F)n1.
What is the InChIKey of 3-amino-3-[6-(difluoromethyl)pyrazin-2-yl]propan-1-ol?
The InChIKey is BUOFPXVVDUAMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c9-8(10)7-4-12-3-6(13-7)5(11)1-2-14/h3-5,8,14H,1-2,11H2.
What are the key properties of 3-amino-3-[6-(difluoromethyl)pyrazin-2-yl]propan-1-ol?
3-amino-3-[6-(difluoromethyl)pyrazin-2-yl]propan-1-ol has a molecular weight of 203.19 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[6-(difluoromethyl)pyrazin-2-yl]propan-1-ol is sourced from PubChem (CID 84671279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).