1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene

C14H10F4O — CID 134631184

IUPAC1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene
SMILESCOc1cccc(F)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F4O/c1-19-12-4-2-3-11(15)13(12)9-5-7-10(8-6-9)14(16,17)18/h2-8H,1H3
InChIKeyJTWJUKLAIDMXGM-UHFFFAOYSA-N
MW270.23 g/mol
LogP4.52
Rot. Bonds2

About 1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene

1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 134631184) has the molecular formula C14H10F4O and a molecular weight of 270.23 g/mol. Its IUPAC name is 1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene
PubChem CID134631184
Molecular FormulaC14H10F4O
Molecular Weight270.23 g/mol
Exact Mass270.07
IUPAC Name1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene
SMILESCOc1cccc(F)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F4O/c1-19-12-4-2-3-11(15)13(12)9-5-7-10(8-6-9)14(16,17)18/h2-8H,1H3
InChIKeyJTWJUKLAIDMXGM-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(2-fluoro-6-methoxyphenyl)phenyl]-2-methylpropanamide
CID 56713578
1-fluoro-3-propan-2-yl-2-[4-(trifluoromethyl)phenyl]benzene
CID 54565762
2-(4-tert-butylphenyl)-1-methoxy-3-methylbenzene
CID 143940688
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119024630
ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate
CID 134627131
1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene
CID 134628457
1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
CID 76546119
1,3-bis(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]benzene
CID 119000485
2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene
CID 134627143
3-(2-fluoro-6-methoxyphenyl)-N-methylaniline
CID 70269151

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene (CID 134631184) is 1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene is COc1cccc(F)c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is JTWJUKLAIDMXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O/c1-19-12-4-2-3-11(15)13(12)9-5-7-10(8-6-9)14(16,17)18/h2-8H,1H3.
What are the key properties of 1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene?
1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 270.23 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134631184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).