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

C9H7F5O — CID 22886332

IUPAC2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene
SMILESCc1ccc(OC(F)C(F)(F)F)c(F)c1
InChIInChI=1S/C9H7F5O/c1-5-2-3-7(6(10)4-5)15-8(11)9(12,13)14/h2-4,8H,1H3
InChIKeyFMARETWNRJMSHB-UHFFFAOYSA-N
MW226.14 g/mol
LogP3.37
Rot. Bonds2

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

2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene (PubChem CID 22886332) has the molecular formula C9H7F5O and a molecular weight of 226.14 g/mol. Its IUPAC name is 2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene.

Molecular Properties

Compound Name2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene
PubChem CID22886332
Molecular FormulaC9H7F5O
Molecular Weight226.14 g/mol
Exact Mass226.04
IUPAC Name2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene
SMILESCc1ccc(OC(F)C(F)(F)F)c(F)c1
InChIInChI=1S/C9H7F5O/c1-5-2-3-7(6(10)4-5)15-8(11)9(12,13)14/h2-4,8H,1H3
InChIKeyFMARETWNRJMSHB-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.14
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-1-[3-fluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-4-methylbenzene
CID 21026873
1-(2-fluoro-4-methylphenoxy)ethanol
CID 134488224
1-butan-2-yloxy-2-fluoro-4-methylbenzene
CID 59391433
1-methyl-4-(1,2,2,2-tetrafluoroethoxy)benzene
CID 57059060
(2R)-2-(2-fluoro-4-methylphenoxy)propan-1-ol
CID 90121366
2-[3,5-difluoro-4-(1,2,2,2-tetrafluoroethoxy)phenyl]-1,3-difluoro-5-methylbenzene
CID 21026855
1-methyl-2-(1,2,2,2-tetrafluoroethoxy)benzene
CID 57121963
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
1-(difluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 118829512
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methylaniline
CID 102721568
ethane;1-(2-fluoro-4-methylphenoxy)-2-methylpropan-2-ol
CID 145227313
1-difluorophosphoryloxy-2-fluoro-4-methylbenzene
CID 87221961

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene?
The IUPAC name of 2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene (CID 22886332) is 2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene.
What is the SMILES notation for 2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene?
The canonical SMILES for 2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene is Cc1ccc(OC(F)C(F)(F)F)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene?
The InChIKey is FMARETWNRJMSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5O/c1-5-2-3-7(6(10)4-5)15-8(11)9(12,13)14/h2-4,8H,1H3.
What are the key properties of 2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene?
2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene has a molecular weight of 226.14 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-1-(1,2,2,2-tetrafluoroethoxy)benzene is sourced from PubChem (CID 22886332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).