4-(difluoromethyl)-1-ethyl-2-methylbenzene

C10H12F2 — CID 89190033

IUPAC4-(difluoromethyl)-1-ethyl-2-methylbenzene
SMILESCCc1ccc(C(F)F)cc1C
InChIInChI=1S/C10H12F2/c1-3-8-4-5-9(10(11)12)6-7(8)2/h4-6,10H,3H2,1-2H3
InChIKeyZDDWLNPVAWRTEW-UHFFFAOYSA-N
MW170.20 g/mol
LogP3.50
Rot. Bonds2

About 4-(difluoromethyl)-1-ethyl-2-methylbenzene

4-(difluoromethyl)-1-ethyl-2-methylbenzene (PubChem CID 89190033) has the molecular formula C10H12F2 and a molecular weight of 170.20 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-ethyl-2-methylbenzene.

Molecular Properties

Compound Name4-(difluoromethyl)-1-ethyl-2-methylbenzene
PubChem CID89190033
Molecular FormulaC10H12F2
Molecular Weight170.20 g/mol
Exact Mass170.09
IUPAC Name4-(difluoromethyl)-1-ethyl-2-methylbenzene
SMILESCCc1ccc(C(F)F)cc1C
InChIInChI=1S/C10H12F2/c1-3-8-4-5-9(10(11)12)6-7(8)2/h4-6,10H,3H2,1-2H3
InChIKeyZDDWLNPVAWRTEW-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-ethyl-3-methylphenyl)-N-methylpropan-1-amine
CID 145416557
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
[5-(difluoromethyl)-2-methylphenyl]methanol
CID 84654342
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
3-(4-ethyl-3-methylphenyl)-2-methylpropanoic acid
CID 117295148
1,4-diethyl-2-methylbenzene;ethane
CID 158451617
5-(difluoromethyl)-2-propylaniline
CID 130537741
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
N-[5-(difluoromethyl)-2-ethylphenyl]prop-2-enamide
CID 176981785
5-(difluoromethyl)-3-ethyl-2-methylaniline
CID 134183684
2-(difluoromethyl)-5-ethyl-4-methylpyridine
CID 176699020

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-ethyl-2-methylbenzene?
The IUPAC name of 4-(difluoromethyl)-1-ethyl-2-methylbenzene (CID 89190033) is 4-(difluoromethyl)-1-ethyl-2-methylbenzene.
What is the SMILES notation for 4-(difluoromethyl)-1-ethyl-2-methylbenzene?
The canonical SMILES for 4-(difluoromethyl)-1-ethyl-2-methylbenzene is CCc1ccc(C(F)F)cc1C.
What is the InChIKey of 4-(difluoromethyl)-1-ethyl-2-methylbenzene?
The InChIKey is ZDDWLNPVAWRTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2/c1-3-8-4-5-9(10(11)12)6-7(8)2/h4-6,10H,3H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-1-ethyl-2-methylbenzene?
4-(difluoromethyl)-1-ethyl-2-methylbenzene has a molecular weight of 170.20 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-ethyl-2-methylbenzene is sourced from PubChem (CID 89190033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).