fluoro-[[4-(trifluoromethoxy)phenyl]methyl]azanide

C8H6F4NO- — CID 154106189

IUPACfluoro-[[4-(trifluoromethoxy)phenyl]methyl]azanide
SMILESF[N-]Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H6F4NO/c9-8(10,11)14-7-3-1-6(2-4-7)5-13-12/h1-4H,5H2/q-1
InChIKeyITWUZHDQALVKHR-UHFFFAOYSA-N
MW208.13 g/mol
LogP3.34
Rot. Bonds3

About fluoro-[[4-(trifluoromethoxy)phenyl]methyl]azanide

fluoro-[[4-(trifluoromethoxy)phenyl]methyl]azanide (PubChem CID 154106189) has the molecular formula C8H6F4NO- and a molecular weight of 208.13 g/mol. Its IUPAC name is fluoro-[[4-(trifluoromethoxy)phenyl]methyl]azanide.

Molecular Properties

Compound Namefluoro-[[4-(trifluoromethoxy)phenyl]methyl]azanide
PubChem CID154106189
Molecular FormulaC8H6F4NO-
Molecular Weight208.13 g/mol
Exact Mass208.04
IUPAC Namefluoro-[[4-(trifluoromethoxy)phenyl]methyl]azanide
SMILESF[N-]Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C8H6F4NO/c9-8(10,11)14-7-3-1-6(2-4-7)5-13-12/h1-4H,5H2/q-1
InChIKeyITWUZHDQALVKHR-UHFFFAOYSA-N
XLogP3.34
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
CID 59280589
CID 59280589
2-[4-(trifluoromethoxy)phenyl]ethanethial
CID 144868066
3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 43445791
1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene
CID 91726745
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
1-(3-methylbutyl)-4-(trifluoromethoxy)benzene
CID 129296221
1-bromo-4-[4-[4-(trifluoromethoxy)phenyl]butyl]benzene
CID 90901718
2-oxo-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 16790000
2-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine
CID 68630973
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
CID 115969593

Frequently Asked Questions

What is the IUPAC name of fluoro-[[4-(trifluoromethoxy)phenyl]methyl]azanide?
The IUPAC name of fluoro-[[4-(trifluoromethoxy)phenyl]methyl]azanide (CID 154106189) is fluoro-[[4-(trifluoromethoxy)phenyl]methyl]azanide.
What is the SMILES notation for fluoro-[[4-(trifluoromethoxy)phenyl]methyl]azanide?
The canonical SMILES for fluoro-[[4-(trifluoromethoxy)phenyl]methyl]azanide is F[N-]Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of fluoro-[[4-(trifluoromethoxy)phenyl]methyl]azanide?
The InChIKey is ITWUZHDQALVKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4NO/c9-8(10,11)14-7-3-1-6(2-4-7)5-13-12/h1-4H,5H2/q-1.
What are the key properties of fluoro-[[4-(trifluoromethoxy)phenyl]methyl]azanide?
fluoro-[[4-(trifluoromethoxy)phenyl]methyl]azanide has a molecular weight of 208.13 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-[[4-(trifluoromethoxy)phenyl]methyl]azanide is sourced from PubChem (CID 154106189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).