fluoromethane;1-(fluoromethoxy)-2,4,5-trimethylbenzene

C12H19F3O — CID 145173786

IUPACfluoromethane;1-(fluoromethoxy)-2,4,5-trimethylbenzene
SMILESCF.CF.Cc1cc(C)c(OCF)cc1C
InChIInChI=1S/C10H13FO.2CH3F/c1-7-4-9(3)10(12-6-11)5-8(7)2;2*1-2/h4-5H,6H2,1-3H3;2*1H3
InChIKeyNDGGHHMRVPZMFH-UHFFFAOYSA-N
MW236.28 g/mol
LogP4.09
Rot. Bonds2

About fluoromethane;1-(fluoromethoxy)-2,4,5-trimethylbenzene

fluoromethane;1-(fluoromethoxy)-2,4,5-trimethylbenzene (PubChem CID 145173786) has the molecular formula C12H19F3O and a molecular weight of 236.28 g/mol. Its IUPAC name is fluoromethane;1-(fluoromethoxy)-2,4,5-trimethylbenzene.

Molecular Properties

Compound Namefluoromethane;1-(fluoromethoxy)-2,4,5-trimethylbenzene
PubChem CID145173786
Molecular FormulaC12H19F3O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Namefluoromethane;1-(fluoromethoxy)-2,4,5-trimethylbenzene
SMILESCF.CF.Cc1cc(C)c(OCF)cc1C
InChIInChI=1S/C10H13FO.2CH3F/c1-7-4-9(3)10(12-6-11)5-8(7)2;2*1-2/h4-5H,6H2,1-3H3;2*1H3
InChIKeyNDGGHHMRVPZMFH-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(fluoromethoxy)-2,4-dimethylbenzene
CID 58637499
2,4-bis(fluoromethoxy)-1-methylbenzene
CID 57232585
1-(3-bromopropoxy)-2,4,5-trimethylbenzene
CID 82089154
1,2-bis(fluoromethoxy)-4-methylbenzene
CID 57206944
2-(fluoromethoxy)-4-methylaniline
CID 123529275
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
3-(2,4,5-trimethylphenoxy)propanethioamide
CID 82154229
1-butoxy-4-methoxy-2,5-dimethylbenzene
CID 58371109
2-fluoro-1-(fluoromethoxy)-3,4-dimethylbenzene
CID 118830282
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane
CID 91055854

Frequently Asked Questions

What is the IUPAC name of fluoromethane;1-(fluoromethoxy)-2,4,5-trimethylbenzene?
The IUPAC name of fluoromethane;1-(fluoromethoxy)-2,4,5-trimethylbenzene (CID 145173786) is fluoromethane;1-(fluoromethoxy)-2,4,5-trimethylbenzene.
What is the SMILES notation for fluoromethane;1-(fluoromethoxy)-2,4,5-trimethylbenzene?
The canonical SMILES for fluoromethane;1-(fluoromethoxy)-2,4,5-trimethylbenzene is CF.CF.Cc1cc(C)c(OCF)cc1C.
What is the InChIKey of fluoromethane;1-(fluoromethoxy)-2,4,5-trimethylbenzene?
The InChIKey is NDGGHHMRVPZMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO.2CH3F/c1-7-4-9(3)10(12-6-11)5-8(7)2;2*1-2/h4-5H,6H2,1-3H3;2*1H3.
What are the key properties of fluoromethane;1-(fluoromethoxy)-2,4,5-trimethylbenzene?
fluoromethane;1-(fluoromethoxy)-2,4,5-trimethylbenzene has a molecular weight of 236.28 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1-(fluoromethoxy)-2,4,5-trimethylbenzene is sourced from PubChem (CID 145173786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).