4-fluoro-1-(fluoromethyl)-2-(trifluoromethoxy)benzene

C8H5F5O — CID 130950946

IUPAC4-fluoro-1-(fluoromethyl)-2-(trifluoromethoxy)benzene
SMILESFCc1ccc(F)cc1OC(F)(F)F
InChIInChI=1S/C8H5F5O/c9-4-5-1-2-6(10)3-7(5)14-8(11,12)13/h1-3H,4H2
InChIKeyCASOKFSMCVJLRH-UHFFFAOYSA-N
MW212.12 g/mol
LogP3.19
Rot. Bonds2

About 4-fluoro-1-(fluoromethyl)-2-(trifluoromethoxy)benzene

4-fluoro-1-(fluoromethyl)-2-(trifluoromethoxy)benzene (PubChem CID 130950946) has the molecular formula C8H5F5O and a molecular weight of 212.12 g/mol. Its IUPAC name is 4-fluoro-1-(fluoromethyl)-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-fluoro-1-(fluoromethyl)-2-(trifluoromethoxy)benzene
PubChem CID130950946
Molecular FormulaC8H5F5O
Molecular Weight212.12 g/mol
Exact Mass212.03
IUPAC Name4-fluoro-1-(fluoromethyl)-2-(trifluoromethoxy)benzene
SMILESFCc1ccc(F)cc1OC(F)(F)F
InChIInChI=1S/C8H5F5O/c9-4-5-1-2-6(10)3-7(5)14-8(11,12)13/h1-3H,4H2
InChIKeyCASOKFSMCVJLRH-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(chloromethyl)-4-fluoro-2-(trifluoromethoxy)benzene
CID 130937502
4-fluoro-2-methoxy-1-(trifluoromethoxy)benzene
CID 131171208
5-fluoro-2-(fluoromethyl)aniline
CID 91883417
1-bromo-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propan-2-one
CID 134616902
1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene
CID 130935910
2-(bromomethyl)-4-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene
CID 134619444
CID 142546618
CID 142546618
[4-amino-2-(trifluoromethoxy)phenyl]methanol
CID 118822833
2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile
CID 118822081
[4-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylamino]phenyl]-pyrrolidin-1-ylmethanone
CID 100688289
5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133094874
2-amino-3-[5-fluoro-2-(trifluoromethoxy)phenyl]propanoic acid
CID 146676073

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(fluoromethyl)-2-(trifluoromethoxy)benzene?
The IUPAC name of 4-fluoro-1-(fluoromethyl)-2-(trifluoromethoxy)benzene (CID 130950946) is 4-fluoro-1-(fluoromethyl)-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-fluoro-1-(fluoromethyl)-2-(trifluoromethoxy)benzene?
The canonical SMILES for 4-fluoro-1-(fluoromethyl)-2-(trifluoromethoxy)benzene is FCc1ccc(F)cc1OC(F)(F)F.
What is the InChIKey of 4-fluoro-1-(fluoromethyl)-2-(trifluoromethoxy)benzene?
The InChIKey is CASOKFSMCVJLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5O/c9-4-5-1-2-6(10)3-7(5)14-8(11,12)13/h1-3H,4H2.
What are the key properties of 4-fluoro-1-(fluoromethyl)-2-(trifluoromethoxy)benzene?
4-fluoro-1-(fluoromethyl)-2-(trifluoromethoxy)benzene has a molecular weight of 212.12 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(fluoromethyl)-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 130950946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).