[4-fluoro-3-(trifluoromethoxy)phenyl] carbamate

C8H5F4NO3 — CID 175536040

IUPAC[4-fluoro-3-(trifluoromethoxy)phenyl] carbamate
SMILESNC(=O)Oc1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C8H5F4NO3/c9-5-2-1-4(15-7(13)14)3-6(5)16-8(10,11)12/h1-3H,(H2,13,14)
InChIKeyCKSWJUVTOUIEFI-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.18
Rot. Bonds2

About [4-fluoro-3-(trifluoromethoxy)phenyl] carbamate

[4-fluoro-3-(trifluoromethoxy)phenyl] carbamate (PubChem CID 175536040) has the molecular formula C8H5F4NO3 and a molecular weight of 239.12 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethoxy)phenyl] carbamate.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethoxy)phenyl] carbamate
PubChem CID175536040
Molecular FormulaC8H5F4NO3
Molecular Weight239.12 g/mol
Exact Mass239.02
IUPAC Name[4-fluoro-3-(trifluoromethoxy)phenyl] carbamate
SMILESNC(=O)Oc1ccc(F)c(OC(F)(F)F)c1
InChIInChI=1S/C8H5F4NO3/c9-5-2-1-4(15-7(13)14)3-6(5)16-8(10,11)12/h1-3H,(H2,13,14)
InChIKeyCKSWJUVTOUIEFI-UHFFFAOYSA-N
XLogP2.18
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1-bromoethyl)-4-fluorophenyl] carbamate
CID 174524890
2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl carbamate
CID 174991977
4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide
CID 123403240
2-bromo-1-[4-fluoro-3-(trifluoromethoxy)phenyl]ethanone
CID 98041667
[3-(trifluoromethyl)phenyl] carbamate
CID 56614861
2-[4-fluoro-3-(trifluoromethoxy)phenyl]propanal
CID 174601594
1-fluoro-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 123833545
(2-fluoro-5-propan-2-ylphenyl) carbamate
CID 175535945
[4-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroethyl carbonate
CID 118593360
2-amino-6-fluoro-3-(trifluoromethoxy)benzoic acid
CID 119018842
3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine
CID 170878567
2-[4-(4-chlorophenoxy)-2-(trifluoromethoxy)phenyl]-2-oxoacetic acid
CID 151751548

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethoxy)phenyl] carbamate?
The IUPAC name of [4-fluoro-3-(trifluoromethoxy)phenyl] carbamate (CID 175536040) is [4-fluoro-3-(trifluoromethoxy)phenyl] carbamate.
What is the SMILES notation for [4-fluoro-3-(trifluoromethoxy)phenyl] carbamate?
The canonical SMILES for [4-fluoro-3-(trifluoromethoxy)phenyl] carbamate is NC(=O)Oc1ccc(F)c(OC(F)(F)F)c1.
What is the InChIKey of [4-fluoro-3-(trifluoromethoxy)phenyl] carbamate?
The InChIKey is CKSWJUVTOUIEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO3/c9-5-2-1-4(15-7(13)14)3-6(5)16-8(10,11)12/h1-3H,(H2,13,14).
What are the key properties of [4-fluoro-3-(trifluoromethoxy)phenyl] carbamate?
[4-fluoro-3-(trifluoromethoxy)phenyl] carbamate has a molecular weight of 239.12 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethoxy)phenyl] carbamate is sourced from PubChem (CID 175536040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).