2-(1,1-difluoropropyl)-3-propan-2-ylpyrazine

C10H14F2N2 — CID 171833048

IUPAC2-(1,1-difluoropropyl)-3-propan-2-ylpyrazine
SMILESCCC(F)(F)c1nccnc1C(C)C
InChIInChI=1S/C10H14F2N2/c1-4-10(11,12)9-8(7(2)3)13-5-6-14-9/h5-7H,4H2,1-3H3
InChIKeyMHCNNUMGVRUCBB-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.10
Rot. Bonds3

About 2-(1,1-difluoropropyl)-3-propan-2-ylpyrazine

2-(1,1-difluoropropyl)-3-propan-2-ylpyrazine (PubChem CID 171833048) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(1,1-difluoropropyl)-3-propan-2-ylpyrazine.

Molecular Properties

Compound Name2-(1,1-difluoropropyl)-3-propan-2-ylpyrazine
PubChem CID171833048
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name2-(1,1-difluoropropyl)-3-propan-2-ylpyrazine
SMILESCCC(F)(F)c1nccnc1C(C)C
InChIInChI=1S/C10H14F2N2/c1-4-10(11,12)9-8(7(2)3)13-5-6-14-9/h5-7H,4H2,1-3H3
InChIKeyMHCNNUMGVRUCBB-UHFFFAOYSA-N
XLogP3.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1,1-difluoropropyl)-3-propan-2-ylpyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methyl-6,7-dihydro-5H-cyclopentylpyrazine
CID 32065
2-Isobutyl-3-methyl pyrazine
CID 26333
2,3-Diethylpyrazine
CID 27458
2-Methyl-3-propylpyrazine
CID 85224
2-Butyl-3-methylpyrazine
CID 85228
2,5-Dimethyl-3-isopropylpyrazine
CID 518790
5,6,7,8-Tetrahydro-5-methylquinoxaline
CID 21036679
3,5-Dimethyl-2-propylpyrazine
CID 122594
5-Ethyl-6,7-dihydro-5H-cyclopentapyrazine
CID 76852387
Pyrazine, (2-methylpropyl)-
CID 34591
2,3-Dimethyl-5-(2-methylpropyl)pyrazine
CID 528108
2-Methyl-6-(3-methylbutyl)pyrazine
CID 572730

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoropropyl)-3-propan-2-ylpyrazine?
The IUPAC name of 2-(1,1-difluoropropyl)-3-propan-2-ylpyrazine (CID 171833048) is 2-(1,1-difluoropropyl)-3-propan-2-ylpyrazine.
What is the SMILES notation for 2-(1,1-difluoropropyl)-3-propan-2-ylpyrazine?
The canonical SMILES for 2-(1,1-difluoropropyl)-3-propan-2-ylpyrazine is CCC(F)(F)c1nccnc1C(C)C.
What is the InChIKey of 2-(1,1-difluoropropyl)-3-propan-2-ylpyrazine?
The InChIKey is MHCNNUMGVRUCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-4-10(11,12)9-8(7(2)3)13-5-6-14-9/h5-7H,4H2,1-3H3.
What are the key properties of 2-(1,1-difluoropropyl)-3-propan-2-ylpyrazine?
2-(1,1-difluoropropyl)-3-propan-2-ylpyrazine has a molecular weight of 200.23 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoropropyl)-3-propan-2-ylpyrazine is sourced from PubChem (CID 171833048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).