1,4-difluoro-2-methylbenzene;ethane;methanamine;pyridine

C17H28F2N2 — CID 164580742

IUPAC1,4-difluoro-2-methylbenzene;ethane;methanamine;pyridine
SMILESCC.CC.CN.Cc1cc(F)ccc1F.c1ccncc1
InChIInChI=1S/C7H6F2.C5H5N.2C2H6.CH5N/c1-5-4-6(8)2-3-7(5)9;1-2-4-6-5-3-1;3*1-2/h2-4H,1H3;1-5H;2*1-2H3;2H2,1H3
InChIKeyQOJIKDLFIYGTCM-UHFFFAOYSA-N
MW298.42 g/mol
LogP4.98
Rot. Bonds

About 1,4-difluoro-2-methylbenzene;ethane;methanamine;pyridine

1,4-difluoro-2-methylbenzene;ethane;methanamine;pyridine (PubChem CID 164580742) has the molecular formula C17H28F2N2 and a molecular weight of 298.42 g/mol. Its IUPAC name is 1,4-difluoro-2-methylbenzene;ethane;methanamine;pyridine.

Molecular Properties

Compound Name1,4-difluoro-2-methylbenzene;ethane;methanamine;pyridine
PubChem CID164580742
Molecular FormulaC17H28F2N2
Molecular Weight298.42 g/mol
Exact Mass298.22
IUPAC Name1,4-difluoro-2-methylbenzene;ethane;methanamine;pyridine
SMILESCC.CC.CN.Cc1cc(F)ccc1F.c1ccncc1
InChIInChI=1S/C7H6F2.C5H5N.2C2H6.CH5N/c1-5-4-6(8)2-3-7(5)9;1-2-4-6-5-3-1;3*1-2/h2-4H,1H3;1-5H;2*1-2H3;2H2,1H3
InChIKeyQOJIKDLFIYGTCM-UHFFFAOYSA-N
XLogP4.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-methylbenzene;ethane;methanamine;pyridine?
The IUPAC name of 1,4-difluoro-2-methylbenzene;ethane;methanamine;pyridine (CID 164580742) is 1,4-difluoro-2-methylbenzene;ethane;methanamine;pyridine.
What is the SMILES notation for 1,4-difluoro-2-methylbenzene;ethane;methanamine;pyridine?
The canonical SMILES for 1,4-difluoro-2-methylbenzene;ethane;methanamine;pyridine is CC.CC.CN.Cc1cc(F)ccc1F.c1ccncc1.
What is the InChIKey of 1,4-difluoro-2-methylbenzene;ethane;methanamine;pyridine?
The InChIKey is QOJIKDLFIYGTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2.C5H5N.2C2H6.CH5N/c1-5-4-6(8)2-3-7(5)9;1-2-4-6-5-3-1;3*1-2/h2-4H,1H3;1-5H;2*1-2H3;2H2,1H3.
What are the key properties of 1,4-difluoro-2-methylbenzene;ethane;methanamine;pyridine?
1,4-difluoro-2-methylbenzene;ethane;methanamine;pyridine has a molecular weight of 298.42 g/mol, XLogP of 4.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-methylbenzene;ethane;methanamine;pyridine is sourced from PubChem (CID 164580742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).