[4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite

C8H5F5O — CID 144961841

IUPAC[4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite
SMILESFOCc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C8H5F5O/c9-7-2-1-5(4-14-13)3-6(7)8(10,11)12/h1-3H,4H2
InChIKeyHTMOHAQLGMCJJK-UHFFFAOYSA-N
MW212.12 g/mol
LogP3.25
Rot. Bonds2

About [4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite

[4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite (PubChem CID 144961841) has the molecular formula C8H5F5O and a molecular weight of 212.12 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite
PubChem CID144961841
Molecular FormulaC8H5F5O
Molecular Weight212.12 g/mol
Exact Mass212.03
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite
SMILESFOCc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C8H5F5O/c9-7-2-1-5(4-14-13)3-6(7)8(10,11)12/h1-3H,4H2
InChIKeyHTMOHAQLGMCJJK-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469
2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene
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ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 145483743
3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol
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1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
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[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonic acid
CID 141423589
4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 163781390
3-chloro-5-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 122476454
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]guanidine
CID 71510299
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]oxirane
CID 107290790
1-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 67073311
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851137

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite (CID 144961841) is [4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite is FOCc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite?
The InChIKey is HTMOHAQLGMCJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5O/c9-7-2-1-5(4-14-13)3-6(7)8(10,11)12/h1-3H,4H2.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite?
[4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite has a molecular weight of 212.12 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite is sourced from PubChem (CID 144961841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).