1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene

C9H8F4O — CID 57059060

IUPAC1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene
SMILESCc1ccc(OC(F)C(F)(F)F)cc1
InChIInChI=1S/C9H8F4O/c1-6-2-4-7(5-3-6)14-8(10)9(11,12)13/h2-5,8H,1H3
InChIKeyQQFZBRCGIGVADU-UHFFFAOYSA-N
MW208.15 g/mol
LogP3.23
Rot. Bonds2

About 1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene

1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene (PubChem CID 57059060) has the molecular formula C9H8F4O and a molecular weight of 208.15 g/mol. Its IUPAC name is 1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene.

Molecular Properties

Compound Name1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene
PubChem CID57059060
Molecular FormulaC9H8F4O
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene
SMILESCc1ccc(OC(F)C(F)(F)F)cc1
InChIInChI=1S/C9H8F4O/c1-6-2-4-7(5-3-6)14-8(10)9(11,12)13/h2-5,8H,1H3
InChIKeyQQFZBRCGIGVADU-UHFFFAOYSA-N
XLogP3.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene
CID 22886332
1-(2-chloro-1,1,2-trifluoroethoxy)-4-(4-methylphenyl)benzene
CID 20668720
iodo-tris(4-methylphenoxy)phosphanium
CID 139153583
2-fluoro-1-[3-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-4-methylbenzene
CID 21026873
1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene
CID 90324406
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene
CID 21026855
2-[4-(4-methylphenyl)phenoxy]propanenitrile
CID 22688508
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
1-methyl-4-(5,6,6,6-tetrafluoro-5-methylhexan-3-yl)oxybenzene
CID 58901102
1,1-difluoroethane;1,4-xylene
CID 169209229
2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine
CID 19436135

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene?
The IUPAC name of 1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene (CID 57059060) is 1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene.
What is the SMILES notation for 1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene?
The canonical SMILES for 1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene is Cc1ccc(OC(F)C(F)(F)F)cc1.
What is the InChIKey of 1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene?
The InChIKey is QQFZBRCGIGVADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O/c1-6-2-4-7(5-3-6)14-8(10)9(11,12)13/h2-5,8H,1H3.
What are the key properties of 1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene?
1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene has a molecular weight of 208.15 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene is sourced from PubChem (CID 57059060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).