ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene

C10H13F3O — CID 168911616

IUPACethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene
SMILESCC.COc1c(F)cc(F)c(C)c1F
InChIInChI=1S/C8H7F3O.C2H6/c1-4-5(9)3-6(10)8(12-2)7(4)11;1-2/h3H,1-2H3;1-2H3
InChIKeyPGPIQENNHPVPJT-UHFFFAOYSA-N
MW206.21 g/mol
LogP3.45
Rot. Bonds1

About ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene

ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene (PubChem CID 168911616) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene.

Molecular Properties

Compound Nameethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene
PubChem CID168911616
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Nameethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene
SMILESCC.COc1c(F)cc(F)c(C)c1F
InChIInChI=1S/C8H7F3O.C2H6/c1-4-5(9)3-6(10)8(12-2)7(4)11;1-2/h3H,1-2H3;1-2H3
InChIKeyPGPIQENNHPVPJT-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-difluoro-4-methoxy-2-methylphenyl)propan-2-ol;ethane
CID 178095576
CID 87822920
CID 87822920
1,3,5-trifluoro-2-(fluoromethoxy)-4-methoxybenzene
CID 131191321
CID 87823918
CID 87823918
1,3-difluoro-5-iodo-2,4-dimethoxybenzene
CID 50998225
bis(3,5-difluoro-2-methylphenyl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane
CID 177045586
5,7-difluoro-6-methoxy-3-methyl-2H-indazole;ethane
CID 178095598
5-bromo-1,3-difluoro-2-methoxybenzene;ethane
CID 144516394
ethane;1,2,4,5-tetrafluoro-3-methylbenzene
CID 143259717
1-(difluoromethyl)-2,3,5-trifluoro-4-methoxybenzene
CID 130785750
CID 87824420
CID 87824420
2-bromo-3,5-difluoro-4-methoxyaniline
CID 141136680

Frequently Asked Questions

What is the IUPAC name of ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene?
The IUPAC name of ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene (CID 168911616) is ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene.
What is the SMILES notation for ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene?
The canonical SMILES for ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene is CC.COc1c(F)cc(F)c(C)c1F.
What is the InChIKey of ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene?
The InChIKey is PGPIQENNHPVPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O.C2H6/c1-4-5(9)3-6(10)8(12-2)7(4)11;1-2/h3H,1-2H3;1-2H3.
What are the key properties of ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene?
ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene has a molecular weight of 206.21 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene is sourced from PubChem (CID 168911616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).