1,2-difluoro-4-methylbenzene;methanamine

C8H11F2N — CID 142872799

IUPAC1,2-difluoro-4-methylbenzene;methanamine
SMILESCN.Cc1ccc(F)c(F)c1
InChIInChI=1S/C7H6F2.CH5N/c1-5-2-3-6(8)7(9)4-5;1-2/h2-4H,1H3;2H2,1H3
InChIKeyFYVGEMYRWDGAOD-UHFFFAOYSA-N
MW159.18 g/mol
LogP1.85
Rot. Bonds

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

1,2-difluoro-4-methylbenzene;methanamine (PubChem CID 142872799) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 1,2-difluoro-4-methylbenzene;methanamine.

Molecular Properties

Compound Name1,2-difluoro-4-methylbenzene;methanamine
PubChem CID142872799
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name1,2-difluoro-4-methylbenzene;methanamine
SMILESCN.Cc1ccc(F)c(F)c1
InChIInChI=1S/C7H6F2.CH5N/c1-5-2-3-6(8)7(9)4-5;1-2/h2-4H,1H3;2H2,1H3
InChIKeyFYVGEMYRWDGAOD-UHFFFAOYSA-N
XLogP1.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene
CID 143200247
1,2-difluoro-4-methylbenzene;ethane;1-fluoro-3-methylbenzene
CID 144581730
2-fluoro-4-methylaniline;hydrochloride
CID 139976919
ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
2,3-difluoro-1,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 90931442
(3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337256
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
3-fluoro-4-(2-fluoro-4-methylphenyl)aniline
CID 90222645
(2-fluoro-5-methylphenyl)methanamine;hydrochloride
CID 117064774

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-methylbenzene;methanamine?
The IUPAC name of 1,2-difluoro-4-methylbenzene;methanamine (CID 142872799) is 1,2-difluoro-4-methylbenzene;methanamine.
What is the SMILES notation for 1,2-difluoro-4-methylbenzene;methanamine?
The canonical SMILES for 1,2-difluoro-4-methylbenzene;methanamine is CN.Cc1ccc(F)c(F)c1.
What is the InChIKey of 1,2-difluoro-4-methylbenzene;methanamine?
The InChIKey is FYVGEMYRWDGAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2.CH5N/c1-5-2-3-6(8)7(9)4-5;1-2/h2-4H,1H3;2H2,1H3.
What are the key properties of 1,2-difluoro-4-methylbenzene;methanamine?
1,2-difluoro-4-methylbenzene;methanamine has a molecular weight of 159.18 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-methylbenzene;methanamine is sourced from PubChem (CID 142872799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).