2-fluoro-4-(trifluoromethyl)-1,3-benzoxazole

C8H3F4NO — CID 130953338

IUPAC2-fluoro-4-(trifluoromethyl)-1,3-benzoxazole
SMILESFc1nc2c(C(F)(F)F)cccc2o1
InChIInChI=1S/C8H3F4NO/c9-7-13-6-4(8(10,11)12)2-1-3-5(6)14-7/h1-3H
InChIKeyXYRGYBWUCINJDB-UHFFFAOYSA-N
MW205.11 g/mol
LogP2.99
Rot. Bonds

About 2-fluoro-4-(trifluoromethyl)-1,3-benzoxazole

2-fluoro-4-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 130953338) has the molecular formula C8H3F4NO and a molecular weight of 205.11 g/mol. Its IUPAC name is 2-fluoro-4-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-fluoro-4-(trifluoromethyl)-1,3-benzoxazole
PubChem CID130953338
Molecular FormulaC8H3F4NO
Molecular Weight205.11 g/mol
Exact Mass205.02
IUPAC Name2-fluoro-4-(trifluoromethyl)-1,3-benzoxazole
SMILESFc1nc2c(C(F)(F)F)cccc2o1
InChIInChI=1S/C8H3F4NO/c9-7-13-6-4(8(10,11)12)2-1-3-5(6)14-7/h1-3H
InChIKeyXYRGYBWUCINJDB-UHFFFAOYSA-N
XLogP2.99
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.11
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]hydrazine
CID 115059690
1-[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]ethanone
CID 119014536
2-fluoro-1,3-benzoxazole-4-carbonitrile
CID 118816361
4-(difluoromethoxy)-2-fluoro-1,3-benzoxazole
CID 118823794
4-methyl-2-(trifluoromethyl)-1,3-benzoxazole
CID 13278515
2-methyl-4-(trifluoromethyl)-1-benzofuran
CID 175846735
CID 101353997
CID 101353997
2-[2-(trifluoromethyl)phenyl]-1,3-benzoxazole
CID 58230863
2-(4-fluoro-1,3-benzoxazol-2-yl)propan-2-amine
CID 82401381
2-[(2S,3S)-3-methyloxiran-2-yl]-8-(trifluoromethyl)quinoline
CID 101096730
3,4-dibromo-2-methyl-8-(trifluoromethyl)quinoline
CID 121236040
4-fluoro-2-propan-2-yl-1,3-benzoxazole
CID 59589274

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 2-fluoro-4-(trifluoromethyl)-1,3-benzoxazole (CID 130953338) is 2-fluoro-4-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-fluoro-4-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 2-fluoro-4-(trifluoromethyl)-1,3-benzoxazole is Fc1nc2c(C(F)(F)F)cccc2o1.
What is the InChIKey of 2-fluoro-4-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is XYRGYBWUCINJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F4NO/c9-7-13-6-4(8(10,11)12)2-1-3-5(6)14-7/h1-3H.
What are the key properties of 2-fluoro-4-(trifluoromethyl)-1,3-benzoxazole?
2-fluoro-4-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 205.11 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 130953338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).