2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]oxirane

C10H8F4O — CID 107290790

IUPAC2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]oxirane
SMILESFc1ccc(CC2CO2)cc1C(F)(F)F
InChIInChI=1S/C10H8F4O/c11-9-2-1-6(3-7-5-15-7)4-8(9)10(12,13)14/h1-2,4,7H,3,5H2
InChIKeyWPBCSHOEXNGANB-UHFFFAOYSA-N
MW220.16 g/mol
LogP2.79
Rot. Bonds2

About 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]oxirane

2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]oxirane (PubChem CID 107290790) has the molecular formula C10H8F4O and a molecular weight of 220.16 g/mol. Its IUPAC name is 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]oxirane
PubChem CID107290790
Molecular FormulaC10H8F4O
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Name2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]oxirane
SMILESFc1ccc(CC2CO2)cc1C(F)(F)F
InChIInChI=1S/C10H8F4O/c11-9-2-1-6(3-7-5-15-7)4-8(9)10(12,13)14/h1-2,4,7H,3,5H2
InChIKeyWPBCSHOEXNGANB-UHFFFAOYSA-N
XLogP2.79
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol;(2R)-2-(chloromethyl)oxirane
CID 160712634
5-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 104687151
4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469
2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene
CID 156907937
1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
CID 59545613
[4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite
CID 144961841
[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonic acid
CID 141423589
3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-1-en-2-ol
CID 143164725
2-[2-[2-hydroxy-4-(oxiran-2-ylmethyl)phenyl]propan-2-yl]-5-(oxiran-2-ylmethyl)phenol
CID 54210540
ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 145483743
(2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine
CID 11565325
4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 163781390

Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]oxirane?
The IUPAC name of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]oxirane (CID 107290790) is 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]oxirane.
What is the SMILES notation for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]oxirane?
The canonical SMILES for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]oxirane is Fc1ccc(CC2CO2)cc1C(F)(F)F.
What is the InChIKey of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]oxirane?
The InChIKey is WPBCSHOEXNGANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O/c11-9-2-1-6(3-7-5-15-7)4-8(9)10(12,13)14/h1-2,4,7H,3,5H2.
What are the key properties of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]oxirane?
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]oxirane has a molecular weight of 220.16 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]oxirane is sourced from PubChem (CID 107290790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).