2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl carbamate

C10H9F4NO4 — CID 174991977

IUPAC2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl carbamate
SMILESNC(=O)OCCOc1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C10H9F4NO4/c11-7-5-6(17-3-4-18-9(15)16)1-2-8(7)19-10(12,13)14/h1-2,5H,3-4H2,(H2,15,16)
InChIKeyTTWXNKLMVIVHQI-UHFFFAOYSA-N
MW283.18 g/mol
LogP2.20
Rot. Bonds5

About 2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl carbamate

2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl carbamate (PubChem CID 174991977) has the molecular formula C10H9F4NO4 and a molecular weight of 283.18 g/mol. Its IUPAC name is 2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl carbamate.

Molecular Properties

Compound Name2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl carbamate
PubChem CID174991977
Molecular FormulaC10H9F4NO4
Molecular Weight283.18 g/mol
Exact Mass283.05
IUPAC Name2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl carbamate
SMILESNC(=O)OCCOc1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C10H9F4NO4/c11-7-5-6(17-3-4-18-9(15)16)1-2-8(7)19-10(12,13)14/h1-2,5H,3-4H2,(H2,15,16)
InChIKeyTTWXNKLMVIVHQI-UHFFFAOYSA-N
XLogP2.20
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-[4-[9-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenoxy]nonoxy]phenyl]-1-(trifluoromethoxy)benzene
CID 118245658
[4-fluoro-3-(trifluoromethoxy)phenyl] carbamate
CID 175536040
2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethoxy)benzoic acid
CID 137406797
2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide
CID 137368022
4-[3-bromo-4-(trifluoromethoxy)phenoxy]butanoic acid
CID 102714204
(Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 170877218
2-fluoro-4-[4-[8-[4-(4-isocyanophenyl)phenoxy]octoxy]phenyl]-1-(trifluoromethoxy)benzene
CID 59583309
ethyl 3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoate
CID 122642075
2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol
CID 102674568
2-fluoro-4-[8-[4-(4-methylcyclohexyl)phenyl]octoxy]-1-(trifluoromethoxy)benzene
CID 20603151
3-(4-fluorophenoxy)propyl carbamate
CID 154235028
2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845597

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl carbamate?
The IUPAC name of 2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl carbamate (CID 174991977) is 2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl carbamate.
What is the SMILES notation for 2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl carbamate?
The canonical SMILES for 2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl carbamate is NC(=O)OCCOc1ccc(OC(F)(F)F)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl carbamate?
The InChIKey is TTWXNKLMVIVHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO4/c11-7-5-6(17-3-4-18-9(15)16)1-2-8(7)19-10(12,13)14/h1-2,5H,3-4H2,(H2,15,16).
What are the key properties of 2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl carbamate?
2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl carbamate has a molecular weight of 283.18 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl carbamate is sourced from PubChem (CID 174991977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).