5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene

C8H5ClF4O — CID 171001774

IUPAC5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene
SMILESCOc1c(F)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H5ClF4O/c1-14-7-5(8(11,12)13)2-4(9)3-6(7)10/h2-3H,1H3
InChIKeyINTPRINTGOXCKZ-UHFFFAOYSA-N
MW228.57 g/mol
LogP3.51
Rot. Bonds1

About 5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene

5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene (PubChem CID 171001774) has the molecular formula C8H5ClF4O and a molecular weight of 228.57 g/mol. Its IUPAC name is 5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene
PubChem CID171001774
Molecular FormulaC8H5ClF4O
Molecular Weight228.57 g/mol
Exact Mass228.00
IUPAC Name5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene
SMILESCOc1c(F)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H5ClF4O/c1-14-7-5(8(11,12)13)2-4(9)3-6(7)10/h2-3H,1H3
InChIKeyINTPRINTGOXCKZ-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.57
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 84707984
4-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]butan-1-amine
CID 117452182
2-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]-2-oxoacetic acid
CID 117454085
1-bromo-5-chloro-3-fluoro-2-methoxybenzene
CID 3863039
2-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117454100
2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene
CID 131150225
(5-chloro-3-fluoro-2-methoxyphenyl)hydrazine
CID 90034743
3-chloro-4-methoxy-5-(trifluoromethyl)aniline
CID 131188893
1-(bromomethyl)-5-chloro-3-fluoro-2-methoxybenzene
CID 131593007
4-methoxy-3,5-bis(trifluoromethyl)aniline
CID 134640581
1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene
CID 19102260
5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene
CID 134259779

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene?
The IUPAC name of 5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene (CID 171001774) is 5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene.
What is the SMILES notation for 5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene?
The canonical SMILES for 5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene is COc1c(F)cc(Cl)cc1C(F)(F)F.
What is the InChIKey of 5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene?
The InChIKey is INTPRINTGOXCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF4O/c1-14-7-5(8(11,12)13)2-4(9)3-6(7)10/h2-3H,1H3.
What are the key properties of 5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene?
5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene has a molecular weight of 228.57 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene is sourced from PubChem (CID 171001774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).