4-(difluoromethyl)-5-methylbenzene-1,2-diamine

C8H10F2N2 — CID 171010491

IUPAC4-(difluoromethyl)-5-methylbenzene-1,2-diamine
SMILESCc1cc(N)c(N)cc1C(F)F
InChIInChI=1S/C8H10F2N2/c1-4-2-6(11)7(12)3-5(4)8(9)10/h2-3,8H,11-12H2,1H3
InChIKeyVOYRPFATFOLYGA-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.10
Rot. Bonds1

About 4-(difluoromethyl)-5-methylbenzene-1,2-diamine

4-(difluoromethyl)-5-methylbenzene-1,2-diamine (PubChem CID 171010491) has the molecular formula C8H10F2N2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methylbenzene-1,2-diamine
PubChem CID171010491
Molecular FormulaC8H10F2N2
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name4-(difluoromethyl)-5-methylbenzene-1,2-diamine
SMILESCc1cc(N)c(N)cc1C(F)F
InChIInChI=1S/C8H10F2N2/c1-4-2-6(11)7(12)3-5(4)8(9)10/h2-3,8H,11-12H2,1H3
InChIKeyVOYRPFATFOLYGA-UHFFFAOYSA-N
XLogP2.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-4-(difluoromethyl)-5-methylphenyl]ethanone
CID 170996744
ethane;methyl 2-[2-amino-4-(difluoromethyl)-5-methylphenyl]acetate
CID 143307153
5-(difluoromethyl)-6-methylpyridine-2,3-diamine
CID 119002559
2-(4,5-diamino-2-methylphenyl)propanamide
CID 175309990
2-[4-amino-2-(difluoromethyl)-5-methylphenyl]ethanethioamide
CID 144676327
4-[(1S)-1-aminoethyl]-2-fluoro-5-methylaniline
CID 130775695
1-chloro-5-(difluoromethyl)-2-iodo-4-methylbenzene
CID 70806772
4,5-di(propan-2-yl)benzene-1,2-diamine
CID 122607621
1-[5-amino-2-(difluoromethyl)-4-methylphenyl]ethanone
CID 170996780
7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine
CID 131076036
4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171899146
4-fluoro-5-methyl-2-propan-2-ylaniline
CID 126643926

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methylbenzene-1,2-diamine?
The IUPAC name of 4-(difluoromethyl)-5-methylbenzene-1,2-diamine (CID 171010491) is 4-(difluoromethyl)-5-methylbenzene-1,2-diamine.
What is the SMILES notation for 4-(difluoromethyl)-5-methylbenzene-1,2-diamine?
The canonical SMILES for 4-(difluoromethyl)-5-methylbenzene-1,2-diamine is Cc1cc(N)c(N)cc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methylbenzene-1,2-diamine?
The InChIKey is VOYRPFATFOLYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2/c1-4-2-6(11)7(12)3-5(4)8(9)10/h2-3,8H,11-12H2,1H3.
What are the key properties of 4-(difluoromethyl)-5-methylbenzene-1,2-diamine?
4-(difluoromethyl)-5-methylbenzene-1,2-diamine has a molecular weight of 172.18 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methylbenzene-1,2-diamine is sourced from PubChem (CID 171010491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).