1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene

C8H5ClF4O — CID 171001576

IUPAC1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene
SMILESCOc1cc(F)c(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H5ClF4O/c1-14-7-3-6(10)5(9)2-4(7)8(11,12)13/h2-3H,1H3
InChIKeyFCXXWOGEOHGRMX-UHFFFAOYSA-N
MW228.57 g/mol
LogP3.51
Rot. Bonds1

About 1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene

1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene (PubChem CID 171001576) has the molecular formula C8H5ClF4O and a molecular weight of 228.57 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene
PubChem CID171001576
Molecular FormulaC8H5ClF4O
Molecular Weight228.57 g/mol
Exact Mass228.00
IUPAC Name1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene
SMILESCOc1cc(F)c(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H5ClF4O/c1-14-7-3-6(10)5(9)2-4(7)8(11,12)13/h2-3H,1H3
InChIKeyFCXXWOGEOHGRMX-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-tert-butyl-5-chloro-4-fluoro-2-methoxybenzene
CID 177095864
1-chloro-2-methoxy-4-methyl-5-(trifluoromethyl)benzene
CID 116964823
1-chloro-2,4-difluoro-5-methoxybenzene
CID 124706419
[2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171020934
1-methoxy-5-methyl-2,4-bis(trifluoromethyl)benzene
CID 135743171
1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene
CID 131371239
5-methoxy-2,4-bis(trifluoromethyl)aniline
CID 134640552
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
1,2-ditert-butyl-4-chloro-5-fluorobenzene
CID 130260554
5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene
CID 134259779
1-chloro-5-(chloromethyl)-2-methoxy-4-(trifluoromethyl)benzene
CID 171007479
5-methoxy-2-methyl-4-(trifluoromethyl)phenol
CID 142839437

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene (CID 171001576) is 1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene is COc1cc(F)c(Cl)cc1C(F)(F)F.
What is the InChIKey of 1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene?
The InChIKey is FCXXWOGEOHGRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF4O/c1-14-7-3-6(10)5(9)2-4(7)8(11,12)13/h2-3H,1H3.
What are the key properties of 1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene?
1-chloro-2-fluoro-4-methoxy-5-(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 1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene is sourced from PubChem (CID 171001576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).